General Information of the Compound
| Compound ID |
CP0167352
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| Compound Name |
(S)-1-(3-(1-aminopropan-2-yl)-2-(3,5-dimethylphenyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-5(4H)-yl)-2-(2-fluoro-6-(trifluoromethyl)phenyl)ethanone
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| Structure |
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| Formula |
C27H29F4N3O
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| Molecular Weight |
487.541
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| Canonical SMILES |
C[C@H](CN)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
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| InChI |
InChI=1S/C27H29F4N3O/c1-15-9-16(2)11-18(10-15)26-25(17(3)13-32)20-14-34(8-7-23(20)33-26)24(35)12-19-21(27(29,30)31)5-4-6-22(19)28/h4-6,9-11,17,33H,7-8,12-14,32H2,1-3H3/t17-/m1/s1
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| InChIKey |
LDVIHEQBMXNYLC-QGZVFWFLSA-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