General Information of the Compound
| Compound ID |
CP0877496
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| Compound Name |
((R)-2-Cyclopropyl-7-(3,4-dichlorophenyl)-5-methyl-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 |
C25H25Cl2N5O2
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| Molecular Weight |
498.414
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| Canonical SMILES |
CC1=C(C(=O)N2CCC[C@H]2c2cc(C)no2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(C3CC3)cc2N1
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| InChI |
InChI=1S/C25H25Cl2N5O2/c1-13-10-21(34-30-13)20-4-3-9-31(20)25(33)23-14(2)28-22-12-19(15-5-6-15)29-32(22)24(23)16-7-8-17(26)18(27)11-16/h7-8,10-12,15,20,24,28H,3-6,9H2,1-2H3/t20-,24+/m0/s1
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| InChIKey |
RGKIZPAKEUZZOW-GBXCKJPGSA-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