General Information of the Compound
| Compound ID |
CP0509410
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| Compound Name |
1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chlorophenyl]-3-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)urea
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| Structure |
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| Formula |
C20H20Cl2N8O
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| Molecular Weight |
459.341
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| Canonical SMILES |
CC(C)c1c(NC(=O)Nc2ccc(c(Cl)c2)-n2cc(CN)cn2)cnc2cc(Cl)nn12
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| InChI |
InChI=1S/C20H20Cl2N8O/c1-11(2)19-15(9-24-18-6-17(22)28-30(18)19)27-20(31)26-13-3-4-16(14(21)5-13)29-10-12(7-23)8-25-29/h3-6,8-11H,7,23H2,1-2H3,(H2,26,27,31)
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| InChIKey |
OZELESYVBXOCIX-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