General Information of the Compound
| Compound ID |
CP0878829
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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-(3-methylisoxazol-5-yl)-pyrrolidin-1-yl)methanone
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| Structure |
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| Formula |
C23H23Cl2N5O2
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| Molecular Weight |
472.376
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| Canonical SMILES |
CC1=C(C(=O)N2CCC[C@H]2c2cc(C)no2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(C)cc2N1
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| InChI |
InChI=1S/C23H23Cl2N5O2/c1-12-10-20-26-14(3)21(22(30(20)27-12)15-6-7-16(24)17(25)11-15)23(31)29-8-4-5-18(29)19-9-13(2)28-32-19/h6-7,9-11,18,22,26H,4-5,8H2,1-3H3/t18-,22+/m0/s1
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| InChIKey |
GVGLJLNVADQXKJ-PGRDOPGGSA-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