General Information of the Compound
| Compound ID |
CP0444451
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| Compound Name |
5-cyclohexyl-3-methyl-1-o-tolyl-2-(4-(trifluoromethyl)phenyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
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| Structure |
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| Formula |
C28H29F3N2O
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| Molecular Weight |
466.547
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| Canonical SMILES |
Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(cc1)C(F)(F)F)-c1ccccc1C
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| InChI |
InChI=1S/C28H29F3N2O/c1-18-8-6-7-11-23(18)33-24-16-17-32(22-9-4-3-5-10-22)27(34)25(24)19(2)26(33)20-12-14-21(15-13-20)28(29,30)31/h6-8,11-15,22H,3-5,9-10,16-17H2,1-2H3
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| InChIKey |
YGMGWGADHQSGSG-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