General Information of the Compound
| Compound ID |
CP0542535
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| Compound Name |
[(8R,9S,13S,14S)-13-methyl-17-oxo-2-propyl-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 |
C21H29NO4S
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| Molecular Weight |
391.533
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| Canonical SMILES |
CCCc1cc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2cc1OS(N)(=O)=O
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| InChI |
InChI=1S/C21H29NO4S/c1-3-4-14-11-17-13(12-19(14)26-27(22,24)25)5-6-16-15(17)9-10-21(2)18(16)7-8-20(21)23/h11-12,15-16,18H,3-10H2,1-2H3,(H2,22,24,25)/t15-,16+,18-,21-/m0/s1
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| InChIKey |
KWKZPEYZPXVTRH-HPNQWNLUSA-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