General Information of the Compound
| Compound ID |
CP0542630
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| Compound Name |
N-[3-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C32H29F3N6O
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| Molecular Weight |
570.619
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| Canonical SMILES |
CN1CCN(Cc2ccc(cc2)-c2cnn3c(ccnc23)-c2cccc(NC(=O)c3cccc(c3)C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C32H29F3N6O/c1-39-14-16-40(17-15-39)21-22-8-10-23(11-9-22)28-20-37-41-29(12-13-36-30(28)41)24-4-3-7-27(19-24)38-31(42)25-5-2-6-26(18-25)32(33,34)35/h2-13,18-20H,14-17,21H2,1H3,(H,38,42)
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| InChIKey |
BUZOTBWJKYSTEL-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