General Information of the Compound
| Compound ID |
CP0568682
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| Compound Name |
[(8R,9S,13S,14S,17S)-17-[[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methyl]-17-hydroxy-13-methyl-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 |
C31H39N3O6S2
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| Molecular Weight |
613.802
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| Canonical SMILES |
CN(C)c1cccc2c(cccc12)S(=O)(=O)NC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OS(N)(=O)=O)ccc4[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C31H39N3O6S2/c1-30-16-14-23-22-13-11-21(40-42(32,38)39)18-20(22)10-12-24(23)27(30)15-17-31(30,35)19-33-41(36,37)29-9-5-6-25-26(29)7-4-8-28(25)34(2)3/h4-9,11,13,18,23-24,27,33,35H,10,12,14-17,19H2,1-3H3,(H2,32,38,39)/t23-,24-,27+,30+,31-/m1/s1
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| InChIKey |
NPYBQRVUORXIOD-SMFNEFCRSA-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