General Information of the Compound
| Compound ID |
CP0421659
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| Compound Name |
N-[3-[3-[5-(4-methylpiperazin-1-yl)pent-1-ynyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C30H29F3N6O
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| Molecular Weight |
546.597
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| Canonical SMILES |
CN1CCN(CCCC#Cc2cnn3c(ccnc23)-c2cccc(NC(=O)c3cccc(c3)C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C30H29F3N6O/c1-37-15-17-38(18-16-37)14-4-2-3-7-24-21-35-39-27(12-13-34-28(24)39)22-8-6-11-26(20-22)36-29(40)23-9-5-10-25(19-23)30(31,32)33/h5-6,8-13,19-21H,2,4,14-18H2,1H3,(H,36,40)
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| InChIKey |
YIICPBQWCOBAJU-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