General Information of the Compound
| Compound ID |
CP0941506
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| Compound Name |
2-Methyl-4((1R,2R,5S)-2-methyl-4-oxo-1,2,3,4,5,6-hexahydro-1,5-epiminobenzo[d]azocine-11-carbonyl)-6-(trifluoromethoxy)-2,9-dihydro-1H-pyrido[3,4-b]indol-1-one
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| Structure |
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| Formula |
C26H21F3N4O4
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| Molecular Weight |
510.472
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| Canonical SMILES |
C[C@H]1NC(=O)[C@@H]2Cc3ccccc3[C@H]1N2C(=O)c1cn(C)c(=O)c2[nH]c3ccc(OC(F)(F)F)cc3c12
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| InChI |
InChI=1S/C26H21F3N4O4/c1-12-22-15-6-4-3-5-13(15)9-19(23(34)30-12)33(22)24(35)17-11-32(2)25(36)21-20(17)16-10-14(37-26(27,28)29)7-8-18(16)31-21/h3-8,10-12,19,22,31H,9H2,1-2H3,(H,30,34)/t12-,19+,22+/m1/s1
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| InChIKey |
ADSUFZBNRIJHHG-DNKSNICWSA-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