General Information of the Compound
| Compound ID |
CP0542632
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| Compound Name |
N-[3-[3-[6-[2-(dimethylamino)ethylamino]pyridin-3-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 |
CN(C)CCNc1ccc(cn1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C29H26F3N7O/c1-38(2)14-13-33-26-10-9-21(17-35-26)24-18-36-39-25(11-12-34-27(24)39)19-5-4-8-23(16-19)37-28(40)20-6-3-7-22(15-20)29(30,31)32/h3-12,15-18H,13-14H2,1-2H3,(H,33,35)(H,37,40)
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| InChIKey |
SOMNTMFCUYIBSJ-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