General Information of the Compound
| Compound ID |
CP0415709
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| Compound Name |
N-[(2R)-3-(2-methyl-3H-benzimidazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C35H46N8O3
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| Molecular Weight |
626.806
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| Canonical SMILES |
Cc1nc2ccc(C[C@@H](NC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C(=O)N3CCC(CC3)N3CCCCC3)cc2[nH]1
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| InChI |
InChI=1S/C35H46N8O3/c1-24-36-30-10-9-25(21-31(30)37-24)22-32(33(44)41-17-11-27(12-18-41)40-15-5-2-6-16-40)39-34(45)42-19-13-28(14-20-42)43-23-26-7-3-4-8-29(26)38-35(43)46/h3-4,7-10,21,27-28,32H,2,5-6,11-20,22-23H2,1H3,(H,36,37)(H,38,46)(H,39,45)/t32-/m1/s1
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| InChIKey |
UWIDYEIOJDREEC-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