General Information of the Compound
| Compound ID |
CP0208672
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| Compound Name |
(7R,8R,9S,13S,14S,17S)-3-methoxy-13-methyl-7-[4-(2-piperidin-1-ylethoxy)phenyl]sulfanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
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| Structure |
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| Formula |
C32H43NO3S
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| Molecular Weight |
521.767
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| Canonical SMILES |
COc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3[C@@H](Cc2c1)Sc1ccc(OCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C32H43NO3S/c1-32-15-14-27-26-11-8-24(35-2)20-22(26)21-29(31(27)28(32)12-13-30(32)34)37-25-9-6-23(7-10-25)36-19-18-33-16-4-3-5-17-33/h6-11,20,27-31,34H,3-5,12-19,21H2,1-2H3/t27-,28+,29-,30+,31-,32+/m1/s1
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| InChIKey |
MIEOUGAGNUPXNU-MMKLJALJSA-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