General Information of the Compound
| Compound ID |
CP0048198
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| Compound Name |
N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]azepane-3-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 |
O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)C1CCCCNC1
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| InChI |
InChI=1S/C23H24N4O/c24-14-18-6-10-20(11-7-18)19-8-4-17(5-9-19)13-22(15-25)27-23(28)21-3-1-2-12-26-16-21/h4-11,21-22,26H,1-3,12-13,16H2,(H,27,28)/t21?,22-/m0/s1
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| InChIKey |
ZSKRFSFJXYNREY-KEKNWZKVSA-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