General Information of the Compound
| Compound ID |
CP0447763
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| Compound Name |
N-[3-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C29H26F3N7O
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| Molecular Weight |
545.569
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2c(cnn12)-c1cnn(CCN2CCCC2)c1
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| InChI |
InChI=1S/C29H26F3N7O/c30-29(31,32)23-7-3-6-21(15-23)28(40)36-24-8-4-5-20(16-24)26-9-10-33-27-25(18-35-39(26)27)22-17-34-38(19-22)14-13-37-11-1-2-12-37/h3-10,15-19H,1-2,11-14H2,(H,36,40)
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| InChIKey |
CNAMYLDNIIXYMW-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