General Information of the Compound
| Compound ID |
CP0534074
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| Compound Name |
1-(5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)piperazin-1-yl)pyridin-3-yl)-3-(3,4-dichlorophenyl)urea
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| Structure |
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| Formula |
C28H30Cl4N6O
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| Molecular Weight |
608.401
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| Canonical SMILES |
Clc1ccc(CN2CCC(CC2)N2CCN(CC2)c2ncc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2Cl)cc1
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| InChI |
InChI=1S/C28H30Cl4N6O/c29-20-3-1-19(2-4-20)18-36-9-7-23(8-10-36)37-11-13-38(14-12-37)27-26(32)16-22(17-33-27)35-28(39)34-21-5-6-24(30)25(31)15-21/h1-6,15-17,23H,7-14,18H2,(H2,34,35,39)
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| InChIKey |
YIYLAYRSJCHOLQ-UHFFFAOYSA-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