General Information of the Compound
| Compound ID |
CP0505215
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| Compound Name |
N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(4-phenylphenyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C38H47N7O2
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| Molecular Weight |
633.841
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| Canonical SMILES |
Cc1cc(C[C@@H](NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
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| InChI |
InChI=1S/C38H47N7O2/c1-28-24-29(25-32-27-39-41-36(28)32)26-35(37(46)44-18-14-34(15-19-44)42-16-6-3-7-17-42)40-38(47)45-22-20-43(21-23-45)33-12-10-31(11-13-33)30-8-4-2-5-9-30/h2,4-5,8-13,24-25,27,34-35H,3,6-7,14-23,26H2,1H3,(H,39,41)(H,40,47)/t35-/m1/s1
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| InChIKey |
IKPOJXVQIIPVKY-PGUFJCEWSA-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