General Information of the Compound
| Compound ID |
CP0569869
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| Compound Name |
1-[4-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]-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 |
C30H33ClN12O2
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| Molecular Weight |
629.129
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| Canonical SMILES |
Cc1c(C)c(nnc1N1CCC(CC1)NC(=O)Nc1ccc(Oc2nc(Nc3cnn(C)c3)ncc2Cl)cc1)-c1ccnn1C
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| InChI |
InChI=1S/C30H33ClN12O2/c1-18-19(2)27(40-39-26(18)25-9-12-33-42(25)4)43-13-10-21(11-14-43)37-30(44)36-20-5-7-23(8-6-20)45-28-24(31)16-32-29(38-28)35-22-15-34-41(3)17-22/h5-9,12,15-17,21H,10-11,13-14H2,1-4H3,(H,32,35,38)(H2,36,37,44)
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| InChIKey |
CAJIMFSJCDQTCK-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