General Information of the Compound
| Compound ID |
CP0570817
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| Compound Name |
1-[4-[[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]-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 |
C31H38ClN11O2
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| Molecular Weight |
632.173
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| Canonical SMILES |
Cc1c(C)c(nnc1N1CCC(CC1)NC(=O)Nc1ccc(Nc2nc(NC3CCOCC3)ncc2Cl)cc1)-c1ccnn1C
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| InChI |
InChI=1S/C31H38ClN11O2/c1-19-20(2)29(41-40-27(19)26-8-13-34-42(26)3)43-14-9-23(10-15-43)38-31(44)37-22-6-4-21(5-7-22)35-28-25(32)18-33-30(39-28)36-24-11-16-45-17-12-24/h4-8,13,18,23-24H,9-12,14-17H2,1-3H3,(H2,37,38,44)(H2,33,35,36,39)
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| InChIKey |
IKPIGLQHWUMAAZ-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