General Information of the Compound
| Compound ID |
CP0354140
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| Compound Name |
(1R,2S)-2-amino-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]cyclopentane-1-carboxamide
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| Structure |
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| Formula |
C22H22N4O
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| Molecular Weight |
358.445
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| Canonical SMILES |
N[C@H]1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
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| InChI |
InChI=1S/C22H22N4O/c23-13-16-6-10-18(11-7-16)17-8-4-15(5-9-17)12-19(14-24)26-22(27)20-2-1-3-21(20)25/h4-11,19-21H,1-3,12,25H2,(H,26,27)/t19-,20+,21-/m0/s1
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| InChIKey |
BYOFYTPXWXWPLL-HBMCJLEFSA-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