General Information of the Compound
| Compound ID |
CP0495141
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| Compound Name |
1-[4-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]sulfanylphenyl]-3-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]urea
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| Structure |
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| Formula |
C31H37ClN10O2S
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| Molecular Weight |
649.225
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| Canonical SMILES |
Cc1c(C)c(nnc1N1CCC(CC1)NC(=O)Nc1ccc(Sc2nc(NC3CCOCC3)ncc2Cl)cc1)-c1ccnn1C
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| InChI |
InChI=1S/C31H37ClN10O2S/c1-19-20(2)28(40-39-27(19)26-8-13-34-41(26)3)42-14-9-22(10-15-42)37-31(43)36-21-4-6-24(7-5-21)45-29-25(32)18-33-30(38-29)35-23-11-16-44-17-12-23/h4-8,13,18,22-23H,9-12,14-17H2,1-3H3,(H,33,35,38)(H2,36,37,43)
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| InChIKey |
FCZGBMYUPODVJB-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