General Information of the Compound
| Compound ID |
CP0456112
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| Compound Name |
(1S,3S)-N-[[(2S)-5-bromo-2,3-dihydro-1H-inden-2-yl]methyl]-3-(2,5-dimethylbenzimidazol-1-yl)cyclopentan-1-amine
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| Structure |
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| Formula |
C24H28BrN3
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| Molecular Weight |
438.413
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| Canonical SMILES |
Cc1nc2cc(C)ccc2n1[C@H]1CC[C@@H](C1)NC[C@H]1Cc2ccc(Br)cc2C1
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| InChI |
InChI=1S/C24H28BrN3/c1-15-3-8-24-23(9-15)27-16(2)28(24)22-7-6-21(13-22)26-14-17-10-18-4-5-20(25)12-19(18)11-17/h3-5,8-9,12,17,21-22,26H,6-7,10-11,13-14H2,1-2H3/t17-,21-,22-/m0/s1
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| InChIKey |
NCGVYISELWIBPB-HSQYWUDLSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound