General Information of the Compound
| Compound ID |
CP0903027
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| Compound Name |
(7-(3,5-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(c2cc(Cl)cc(Cl)c2)n2nccc2N1
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| InChI |
InChI=1S/C24H22Cl2FN5O/c1-15-22(24(33)31-10-8-30(9-11-31)20-4-2-19(27)3-5-20)23(32-21(29-15)6-7-28-32)16-12-17(25)14-18(26)13-16/h2-7,12-14,23,29H,8-11H2,1H3
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| InChIKey |
VMNSYHUFJPXNAW-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