General Information of the Compound
| Compound ID |
CP0537789
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| Compound Name |
N-[4-fluoro-3-[3-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C30H25F4N7O
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| Molecular Weight |
575.57
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cn1)-c1cnn2c(ccnc12)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1F
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| InChI |
InChI=1S/C30H25F4N7O/c1-39-11-13-40(14-12-39)27-8-5-20(17-36-27)24-18-37-41-26(9-10-35-28(24)41)23-16-22(6-7-25(23)31)38-29(42)19-3-2-4-21(15-19)30(32,33)34/h2-10,15-18H,11-14H2,1H3,(H,38,42)
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| InChIKey |
PIGVLAUTQMIRBH-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