Molecules/(2S,3S)-N-((64S,3S,4S)-12-(5-(4-Cyclopropylpiperazin-1-yl)-2-((S)-1-methoxyethyl)pyridin-3-yl)-10,10-dimethyl-5,7-dioxo-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-(2-((tetrahydro-2H-pyran-4-yl)oxy)ethyl)-11H-8-oxa-62,63-diaza-2(4,2)-thiazola-1(5,3)-indola-6(2,4)-bicyclo[3.1.1]heptanacycloundecaphane-4-yl)-3-methyloxetane-2-carboxamide
(2S,3S)-N-((64S,3S,4S)-12-(5-(4-Cyclopropylpiperazin-1-yl)-2-((S)-1-methoxyethyl)pyridin-3-yl)-10,10-dimethyl-5,7-dioxo-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-(2-((tetrahydro-2H-pyran-4-yl)oxy)ethyl)-11H-8-oxa-62,63-diaza-2(4,2)-thiazola-1(5,3)-indola-6(2,4)-bicyclo[3.1.1]heptanacycloundecaphane-4-yl)-3-methyloxetane-2-carboxamide
(2S,3S)-N-[(6S,7S,13S)-20-[5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]-3-pyridinyl]-17,17-dimethyl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-21-[2-(oxan-4-yloxy)ethyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,29-tetrazahexacyclo[17.5.2.12,5.19,13.110,12.022,26]nonacosa-1(25),2,5(29),19,22(26),23-hexaen-7-yl]-3-methyloxetane-2-carboxamide
Molecular Identity
(2S,3S)-N-((64S,3S,4S)-12-(5-(4-Cyclopropylpiperazin-1-yl)-2-((S)-1-methoxyethyl)pyridin-3-yl)-10,10-dimethyl-5,7-dioxo-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-(2-((tetrahydro-2H-pyran-4-yl)oxy)ethyl)-11H-8-oxa-62,63-diaza-2(4,2)-thiazola-1(5,3)-indola-6(2,4)-bicyclo[3.1.1]heptanacycloundecaphane-4-yl)-3-methyloxetane-2-carboxamide
(2S,3S)-N-[(6S,7S,13S)-20-[5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]-3-pyridinyl]-17,17-dimethyl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-21-[2-(oxan-4-yloxy)ethyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,29-tetrazahexacyclo[17.5.2.12,5.19,13.110,12.022,26]nonacosa-1(25),2,5(29),19,22(26),23-hexaen-7-yl]-3-methyloxetane-2-carboxamide
PubChem CID: 175679038
2D Structure
Properties
C57H75N9O9S
Molecular Formula
1062.30
Molecular Weight
g/mol
1061.5408
Exact Mass
Da
4.4
XLogP
Drug-like (Lipinski: < 5)
203
TPSA
May have limited oral absorption
2
H-Bond Donors
16
H-Bond Acceptors
2080
Complexity
SMILES
Canonical SMILES
SMILES: CC1COC1C(=O)NC2C(C3=NC(=CS3)C4=CC5=C(C=C4)N(C(=C5CC(COC(=O)C6C7CC(C7)N(C2=O)N6)(C)C)C8=C(N=CC(=C8)N9CCN(CC9)C1CC1)C(C)OC)CCOC1CCOCC1)N1CC2(C1)COC2Isomeric SMILES
SMILES: C[C@H]1CO[C@@H]1C(=O)N[C@H]2[C@@H](C3=NC(=CS3)C4=CC5=C(C=C4)N(C(=C5CC(COC(=O)[C@@H]6C7CC(C7)N(C2=O)N6)(C)C)C8=C(N=CC(=C8)N9CCN(CC9)C1CC1)[C@H](C)OC)CCOC1CCOCC1)N1CC2(C1)COC2Synonyms(5)
RMC-5127(2S,3S)-N-((64S,3S,4S)-12-(5-(4-Cyclopropylpiperazin-1-yl)-2-((S)-1-methoxyethyl)pyridin-3-yl)-10,10-dimethyl-5,7-dioxo-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-(2-((tetrahydro-2H-pyran-4-yl)oxy)ethyl)-11H-8-oxa-62,63-diaza-2(4,2)-thiazola-1(5,3)-indola-6(2,4)-bicyclo[3.1.1]heptanacycloundecaphane-4-yl)-3-methyloxetane-2-carboxamide3056146-38-1EX-A10731AT48469
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Molecular Structure
(2S,3S)-N-((64S,3S,4S)-12-(5-(4-Cyclopropylpiperazin-1-yl)-2-((S)-1-methoxyethyl)pyridin-3-yl)-10,10-dimethyl-5,7-dioxo-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-(2-((tetrahydro-2H-pyran-4-yl)oxy)ethyl)-11H-8-oxa-62,63-diaza-2(4,2)-thiazola-1(5,3)-indola-6(2,4)-bicyclo[3.1.1]heptanacycloundecaphane-4-yl)-3-methyloxetane-2-carboxamide
Loading structure...
Drug Network
Trials and conditions connected to (2S,3S)-N-((64S,3S,4S)-12-(5-(4-Cyclopropylpiperazin-1-yl)-2-((S)-1-methoxyethyl)pyridin-3-yl)-10,10-dimethyl-5,7-dioxo-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-(2-((tetrahydro-2H-pyran-4-yl)oxy)ethyl)-11H-8-oxa-62,63-diaza-2(4,2)-thiazola-1(5,3)-indola-6(2,4)-bicyclo[3.1.1]heptanacycloundecaphane-4-yl)-3-methyloxetane-2-carboxamide
Loading drug network...