General Information of the Compound
| Compound ID |
CP0488414
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| Compound Name |
1-[4-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]oxyphenyl]-3-[1-[4,5-dimethyl-6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]urea
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| Structure |
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| Formula |
C31H37ClN10O3
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| Molecular Weight |
633.157
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| Canonical SMILES |
Cc1c(C)c(nnc1N1CCC(CC1)NC(=O)Nc1ccc(Oc2nc(NC3CCOCC3)ncc2Cl)cc1)-c1cnn(C)c1
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| InChI |
InChI=1S/C31H37ClN10O3/c1-19-20(2)28(40-39-27(19)21-16-34-41(3)18-21)42-12-8-23(9-13-42)37-31(43)36-22-4-6-25(7-5-22)45-29-26(32)17-33-30(38-29)35-24-10-14-44-15-11-24/h4-7,16-18,23-24H,8-15H2,1-3H3,(H,33,35,38)(H2,36,37,43)
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| InChIKey |
UAHVYJLPWRAFAS-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