General Information of the Compound
| Compound ID |
CP0482380
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| Compound Name |
5-chloro-2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine
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| Structure |
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| Formula |
C30H39ClN4O3S
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| Molecular Weight |
571.187
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| Canonical SMILES |
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c(Cl)cn1
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| InChI |
InChI=1S/C30H39ClN4O3S/c1-19(2)38-28-16-23(22-11-13-35(6)14-12-22)21(5)15-27(28)34-30-17-26(24(31)18-32-30)33-25-9-7-8-10-29(25)39(36,37)20(3)4/h7-10,15-20,22H,11-14H2,1-6H3,(H2,32,33,34)
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| InChIKey |
WKRSBMFVSRVNIH-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