General Information of the Compound
| Compound ID |
CP0874849
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| Compound Name |
(7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)(2-phenylpyrrolidin-1-yl)methanone
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| Structure |
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| Formula |
C24H22Cl2N4O
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| Molecular Weight |
453.373
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| Canonical SMILES |
CC1=C(C(=O)N2CCCC2c2ccccc2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
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| InChI |
InChI=1S/C24H22Cl2N4O/c1-15-22(24(31)29-13-5-8-20(29)16-6-3-2-4-7-16)23(30-21(28-15)11-12-27-30)17-9-10-18(25)19(26)14-17/h2-4,6-7,9-12,14,20,23,28H,5,8,13H2,1H3
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| InChIKey |
MQXWFRZMYXNNRF-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