General Information of the Compound
| Compound ID |
CP0538694
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| Compound Name |
(R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl 4-(2-oxo-4-phenyl-2,3-dihydro-1H-imidazol-1-yl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C36H45N7O4
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| Molecular Weight |
639.801
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| Canonical SMILES |
Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)n2cc([nH]c2=O)-c2ccccc2)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
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| InChI |
InChI=1S/C36H45N7O4/c1-25-20-26(21-28-23-37-39-33(25)28)22-32(34(44)41-16-10-29(11-17-41)40-14-6-3-7-15-40)47-36(46)42-18-12-30(13-19-42)43-24-31(38-35(43)45)27-8-4-2-5-9-27/h2,4-5,8-9,20-21,23-24,29-30,32H,3,6-7,10-19,22H2,1H3,(H,37,39)(H,38,45)/t32-/m1/s1
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| InChIKey |
VAFZBFGQABHBKX-JGCGQSQUSA-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