General Information of the Compound
| Compound ID |
CP0839058
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| Compound Name |
[(7R)-7-(3,4-dichlorophenyl)-5-methyl-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 |
C24H22Cl2FN5O
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| Molecular Weight |
486.378
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| Canonical SMILES |
CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1
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| InChI |
InChI=1S/C24H22Cl2FN5O/c1-15-22(24(33)31-12-10-30(11-13-31)18-5-3-17(27)4-6-18)23(32-21(29-15)8-9-28-32)16-2-7-19(25)20(26)14-16/h2-9,14,23,29H,10-13H2,1H3/t23-/m1/s1
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| InChIKey |
QAYJFCBUVMMOKG-HSZRJFAPSA-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