General Information of the Compound
| Compound ID |
CP0534415
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| Compound Name |
3-[[(1R,2R)-2-[4-(4-methylpyrazol-1-yl)benzoyl]cyclohexanecarbonyl]amino]benzamide
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| Structure |
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| Formula |
C25H26N4O3
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| Molecular Weight |
430.508
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| Canonical SMILES |
Cc1cnn(c1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(c1)C(N)=O
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| InChI |
InChI=1S/C25H26N4O3/c1-16-14-27-29(15-16)20-11-9-17(10-12-20)23(30)21-7-2-3-8-22(21)25(32)28-19-6-4-5-18(13-19)24(26)31/h4-6,9-15,21-22H,2-3,7-8H2,1H3,(H2,26,31)(H,28,32)/t21-,22-/m1/s1
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| InChIKey |
PAWRIPYNECDBNA-FGZHOGPDSA-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