General Information of the Compound
| Compound ID |
CP0196610
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| Compound Name |
(1R,2S)-2-amino-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]cycloheptane-1-carboxamide
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| Structure |
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| Formula |
C24H26N4O
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| Molecular Weight |
386.499
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| Canonical SMILES |
N[C@H]1CCCCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
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| InChI |
InChI=1S/C24H26N4O/c25-15-18-8-12-20(13-9-18)19-10-6-17(7-11-19)14-21(16-26)28-24(29)22-4-2-1-3-5-23(22)27/h6-13,21-23H,1-5,14,27H2,(H,28,29)/t21-,22+,23-/m0/s1
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| InChIKey |
ODOOVCKVACGPMD-ZRBLBEILSA-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