General Information of the Compound
| Compound ID |
CP0512500
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| Compound Name |
4-(2-cyanophenyl)-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C33H42N8O2
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| Molecular Weight |
582.753
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| Canonical SMILES |
Cc1cc(C[C@@H](NC(=O)N2CCN(CC2)c2ccccc2C#N)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
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| InChI |
InChI=1S/C33H42N8O2/c1-24-19-25(20-27-23-35-37-31(24)27)21-29(32(42)40-13-9-28(10-14-40)38-11-5-2-6-12-38)36-33(43)41-17-15-39(16-18-41)30-8-4-3-7-26(30)22-34/h3-4,7-8,19-20,23,28-29H,2,5-6,9-18,21H2,1H3,(H,35,37)(H,36,43)/t29-/m1/s1
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| InChIKey |
RGJMQOFBGDRDHY-GDLZYMKVSA-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