General Information of the Compound
| Compound ID |
CP0915025
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| Compound Name |
(4-(4-fluorophenyl)piperazin-1-yl)(5-methyl-7-(3-methylbenzo[b]thiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone
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| Structure |
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| Formula |
C27H26FN5OS
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| Molecular Weight |
487.604
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| Canonical SMILES |
CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2sc3ccccc3c2C)n2nccc2N1
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| InChI |
InChI=1S/C27H26FN5OS/c1-17-21-5-3-4-6-22(21)35-26(17)25-24(18(2)30-23-11-12-29-33(23)25)27(34)32-15-13-31(14-16-32)20-9-7-19(28)8-10-20/h3-12,25,30H,13-16H2,1-2H3
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| InChIKey |
DOGXONTVTLEJHS-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