Ro-6870810
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
Molecular Identity
Ro-6870810
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
PubChem CID: 54670351
2D Structure
Properties
C27H34ClN7OS
Molecular Formula
540.10
Molecular Weight
g/mol
539.2234
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
107
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
817
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCCN4CCN(CC4)C)C5=CC=C(C=C5)Cl)CIsomeric SMILES
SMILES: CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCN4CCN(CC4)C)C5=CC=C(C=C5)Cl)CSynonyms(20)
1349719-98-7JQ-35, (S)-Ro-6870810Bet inhibitor TEN-010(S)-JQ35RO6870810TA3QN7788DRg 61466H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-6-acetamide, 4-(4-chlorophenyl)-2,3,9-trimethyl-N-(3-(4-methyl-1-piperazinyl)propyl)-, (6S)-RefChem:9308462-((9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo(8.3.0.0^(2,6))trideca-2(6),4,7,10,12-pentaen-9-yl)-N-(3-(4-methylpiperazin-1-yl)propyl)acetamide(S)-JQ-35TEN-010Bet inhibitor ro6870810TEN010
Data from PubChem (NCBI)
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Drug Network
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