General Information of the Compound
| Compound ID |
CP0884745
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| Compound Name |
N-(((2S,8R,9R)-14-(dimethylamino)-11-((S)-1-hydroxypropan-2-yl)-2,9-dimethyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C30H44FN3O6S
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| Molecular Weight |
593.762
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C30H44FN3O6S/c1-21-18-34(22(2)20-35)30(36)27-17-25(32(4)5)12-15-28(27)40-23(3)9-7-8-16-39-29(21)19-33(6)41(37,38)26-13-10-24(31)11-14-26/h10-15,17,21-23,29,35H,7-9,16,18-20H2,1-6H3/t21-,22+,23+,29+/m1/s1
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| InChIKey |
MEJMTXOOFVGIJM-NXRFZHLESA-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