General Information of the Compound
| Compound ID |
CP0072531
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| Compound Name |
1-[1-cyclohexyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
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| Structure |
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| Formula |
C28H34F2N6O
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| Molecular Weight |
508.617
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| Canonical SMILES |
CC(=O)N1CCc2c(C1)c(nn2C1CCCCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
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| InChI |
InChI=1S/C28H34F2N6O/c1-18(37)34-12-10-25-24(17-34)28(32-36(25)21-8-4-3-5-9-21)35-11-6-7-19-13-22(20-15-31-33(2)16-20)23(27(29)30)14-26(19)35/h13-16,21,27H,3-12,17H2,1-2H3
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| InChIKey |
JOYSTGRIDZTHNY-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