General Information of the Compound
| Compound ID |
CP0190644
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| Compound Name |
1-[2-chloro-7-(1-cyclopropyl-2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)pyridin-3-yl]urea
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| Structure |
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| Formula |
C20H19Cl2N9O2
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| Molecular Weight |
488.339
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| Canonical SMILES |
COCC(C1CC1)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12
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| InChI |
InChI=1S/C20H19Cl2N9O2/c1-33-10-13(11-2-3-11)18-15(9-23-17-7-16(22)29-30(17)18)28-20(32)27-12-6-14(21)19(24-8-12)31-25-4-5-26-31/h4-9,11,13H,2-3,10H2,1H3,(H2,27,28,32)
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| InChIKey |
ZBPMJTCUOXGGGP-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