General Information of the Compound
| Compound ID |
CP0863940
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| Compound Name |
rac-[7-(3,4-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
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| Structure |
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| Formula |
C25H24Cl2FN5O
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| Molecular Weight |
500.405
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| Canonical SMILES |
CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2ccc(Cl)c(Cl)c2)n2nc(C)cc2N1
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| InChI |
InChI=1S/C25H24Cl2FN5O/c1-15-13-22-29-16(2)23(24(33(22)30-15)17-3-8-20(26)21(27)14-17)25(34)32-11-9-31(10-12-32)19-6-4-18(28)5-7-19/h3-8,13-14,24,29H,9-12H2,1-2H3
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| InChIKey |
WGRHMMVTMBRCRW-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