General Information of the Compound
| Compound ID |
CP0430674
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| Compound Name |
N-[3-[3-[4-[2-(dimethylamino)ethyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C30H26F3N5O
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| Molecular Weight |
529.566
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| Canonical SMILES |
CN(C)CCc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C30H26F3N5O/c1-37(2)16-14-20-9-11-21(12-10-20)26-19-35-38-27(13-15-34-28(26)38)22-5-4-8-25(18-22)36-29(39)23-6-3-7-24(17-23)30(31,32)33/h3-13,15,17-19H,14,16H2,1-2H3,(H,36,39)
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| InChIKey |
ADDMFZVXYOSSRB-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