General Information of the Compound
| Compound ID |
CP0492361
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| Compound Name |
[(8R,9S,13S,14S)-2-cyano-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate
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| Structure |
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| Formula |
C19H22N2O4S
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| Molecular Weight |
374.462
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(cc34)C#N)[C@@H]1CCC2=O
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| InChI |
InChI=1S/C19H22N2O4S/c1-19-7-6-13-14(16(19)4-5-18(19)22)3-2-11-9-17(25-26(21,23)24)12(10-20)8-15(11)13/h8-9,13-14,16H,2-7H2,1H3,(H2,21,23,24)/t13-,14+,16-,19-/m0/s1
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| InChIKey |
PAKPGTCJLPCIJC-MVWRLGRASA-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