General Information of the Compound
| Compound ID |
CP0941400
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| Compound Name |
(7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)((S)-2-(4,5-dimethylthiazol-2-yl)pyrrolidin-1-yl)methanone
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| Structure |
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| Formula |
C23H23Cl2N5OS
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| Molecular Weight |
488.444
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| Canonical SMILES |
CC1=C(C(=O)N2CCC[C@H]2c2nc(C)c(C)s2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
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| InChI |
InChI=1S/C23H23Cl2N5OS/c1-12-14(3)32-22(28-12)18-5-4-10-29(18)23(31)20-13(2)27-19-8-9-26-30(19)21(20)15-6-7-16(24)17(25)11-15/h6-9,11,18,21,27H,4-5,10H2,1-3H3/t18-,21?/m0/s1
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| InChIKey |
RWCZQAFLTUJDRA-YMXDCFFPSA-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