General Information of the Compound
| Compound ID |
CP0498804
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| Compound Name |
7-(3-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenyl)-N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C25H22ClF3N6O3
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| Molecular Weight |
546.937
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| Canonical SMILES |
COCCCNC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C25H22ClF3N6O3/c1-38-11-3-9-31-23(36)18-14-32-35-21(8-10-30-22(18)35)15-4-2-5-16(12-15)33-24(37)34-17-6-7-20(26)19(13-17)25(27,28)29/h2,4-8,10,12-14H,3,9,11H2,1H3,(H,31,36)(H2,33,34,37)
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| InChIKey |
KLLPYYZIOZFGQS-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