General Information of the Compound
| Compound ID |
CP0470150
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| Compound Name |
N-[3-[3-[5-[(4-ethylpiperazin-1-yl)methyl]furan-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C31H29F3N6O2
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| Molecular Weight |
574.607
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| Canonical SMILES |
CCN1CCN(Cc2cc(co2)-c2cnn3c(ccnc23)-c2cccc(NC(=O)c3cccc(c3)C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C31H29F3N6O2/c1-2-38-11-13-39(14-12-38)19-26-17-23(20-42-26)27-18-36-40-28(9-10-35-29(27)40)21-5-4-8-25(16-21)37-30(41)22-6-3-7-24(15-22)31(32,33)34/h3-10,15-18,20H,2,11-14,19H2,1H3,(H,37,41)
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| InChIKey |
DATHYHLOJYBUAS-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