General Information of the Compound
| Compound ID |
CP0327068
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| Compound Name |
(1R,2R)-2-amino-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide
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| Structure |
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| Formula |
C23H24N4O
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| Molecular Weight |
372.472
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| Canonical SMILES |
N[C@@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
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| InChI |
InChI=1S/C23H24N4O/c24-14-17-7-11-19(12-8-17)18-9-5-16(6-10-18)13-20(15-25)27-23(28)21-3-1-2-4-22(21)26/h5-12,20-22H,1-4,13,26H2,(H,27,28)/t20-,21+,22+/m0/s1
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| InChIKey |
QTAPOAIUZAWSEL-BHDDXSALSA-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