Calderasib
19-chloro-22-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-13,16-difluoro-3-propan-2-yl-8,11-dioxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12,14,16,18,20,22,25-decaen-24-one
Molecular Identity
Calderasib
19-chloro-22-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-13,16-difluoro-3-propan-2-yl-8,11-dioxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12,14,16,18,20,22,25-decaen-24-one
PubChem CID: 156295589
2D Structure
Properties
C32H31ClF2N6O4
Molecular Formula
637.10
Molecular Weight
g/mol
636.2063
Exact Mass
Da
4.7
XLogP
Drug-like (Lipinski: < 5)
100
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
1160
Complexity
SMILES
Canonical SMILES
SMILES: CC1CN(C(CN1C(=O)C=C)C)C2=NC(=O)N3C4=C(C=CN=C4C(C)C)OCCOC5=C(C=CC(=C5C6=C(C=C2C3=N6)Cl)F)FIsomeric SMILES
SMILES: C[C@@H]1CN([C@H](CN1C(=O)C=C)C)C2=NC(=O)N3C4=C(C=CN=C4C(C)C)OCCOC5=C(C=CC(=C5C6=C(C=C2C3=N6)Cl)F)FSynonyms(14)
MK-1084CHEMBL4875422Calderasibcalderasib [INN]YQF4ART47CCalderasib (MK-1084)SCHEMBL23273000BDBM50572111MK1084AT48485HY-162431CS-1048397E182919-chloro-22-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-13,16-difluoro-3-propan-2-yl-8,11-dioxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12,14,16,18,20,22,25-decaen-24-one
Data from PubChem (NCBI)
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Drug Network
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