General Information of the Compound
| Compound ID |
CP0519808
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| Compound Name |
1-(2-chlorophenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea
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| Structure |
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| Formula |
C34H44ClN7O4
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| Molecular Weight |
650.224
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| Canonical SMILES |
Clc1ccccc1NC(=O)N[C@@H](CC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCC(CC1)N1CCCCC1
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| InChI |
InChI=1S/C34H44ClN7O4/c35-27-9-3-5-11-29(27)36-33(45)37-30(32(44)41-20-12-25(13-21-41)39-16-6-1-7-17-39)22-31(43)40-18-14-26(15-19-40)42-23-24-8-2-4-10-28(24)38-34(42)46/h2-5,8-11,25-26,30H,1,6-7,12-23H2,(H,38,46)(H2,36,37,45)/t30-/m0/s1
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| InChIKey |
WQUYPYLNEWHEQN-PMERELPUSA-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