General Information of the Compound
| Compound ID |
CP0877919
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| Compound Name |
((R)-7-(3,4-Dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo-[1,5-a]pyrimidin-6-yl)((S)-2-(4-fluorophenyl)pyrrolidin-1-yl)-methanone
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| Structure |
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| Formula |
C25H23Cl2FN4O
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| Molecular Weight |
485.39
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| Canonical SMILES |
CC1=C(C(=O)N2CCC[C@H]2c2ccc(F)cc2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(C)cc2N1
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| InChI |
InChI=1S/C25H23Cl2FN4O/c1-14-12-22-29-15(2)23(24(32(22)30-14)17-7-10-19(26)20(27)13-17)25(33)31-11-3-4-21(31)16-5-8-18(28)9-6-16/h5-10,12-13,21,24,29H,3-4,11H2,1-2H3/t21-,24+/m0/s1
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| InChIKey |
KETICYHSESXTEJ-XUZZJYLKSA-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