General Information of the Compound
| Compound ID |
CP0466175
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| Compound Name |
2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-N-((3,5-dichloropyridin-4-yl)methyl)-N-(pyridin-4-ylmethyl)acetamide
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| Structure |
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| Formula |
C30H31Cl3N8O
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| Molecular Weight |
625.992
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| Canonical SMILES |
Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N(Cc3ccncc3)Cc3c(Cl)cncc3Cl)CC2)cc1
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| InChI |
InChI=1S/C30H31Cl3N8O/c31-24-3-1-22(2-4-24)7-11-36-30-37-12-8-28(38-30)40-15-13-39(14-16-40)21-29(42)41(19-23-5-9-34-10-6-23)20-25-26(32)17-35-18-27(25)33/h1-6,8-10,12,17-18H,7,11,13-16,19-21H2,(H,36,37,38)
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| InChIKey |
SIDDLPPKYXYJJX-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