General Information of the Compound
| Compound ID |
CP0476013
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| Compound Name |
1-(2,4-dichlorophenyl)-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 |
C34H43Cl2N7O4
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| Molecular Weight |
684.669
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| Canonical SMILES |
Clc1ccc(NC(=O)N[C@@H](CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)c(Cl)c1
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| InChI |
InChI=1S/C34H43Cl2N7O4/c35-24-8-9-29(27(36)20-24)37-33(46)38-30(32(45)42-18-10-25(11-19-42)40-14-4-1-5-15-40)21-31(44)41-16-12-26(13-17-41)43-22-23-6-2-3-7-28(23)39-34(43)47/h2-3,6-9,20,25-26,30H,1,4-5,10-19,21-22H2,(H,39,47)(H2,37,38,46)/t30-/m0/s1
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| InChIKey |
PLLMMGZUUVZIQQ-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