General Information of the Compound
| Compound ID |
CP0571974
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| Compound Name |
1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]oxyphenyl]urea
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| Structure |
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| Formula |
C32H40N10O3
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| Molecular Weight |
612.739
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| Canonical SMILES |
Cc1cnc(NC2CCOCC2)nc1Oc1ccc(NC(=O)NC2CCN(CC2)c2nnc(-c3ccnn3C)c(C)c2C)cc1
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| InChI |
InChI=1S/C32H40N10O3/c1-20-19-33-31(35-25-12-17-44-18-13-25)38-30(20)45-26-7-5-23(6-8-26)36-32(43)37-24-10-15-42(16-11-24)29-22(3)21(2)28(39-40-29)27-9-14-34-41(27)4/h5-9,14,19,24-25H,10-13,15-18H2,1-4H3,(H,33,35,38)(H2,36,37,43)
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| InChIKey |
QKIRTBZHSZSQET-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