General Information of the Compound
| Compound ID |
CP0208541
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| Compound Name |
(E)-3-[4-[[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]sulfanyl]phenyl]-N,N-dimethylprop-2-enamide
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| Structure |
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| Formula |
C29H35NO3S
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| Molecular Weight |
477.67
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| Canonical SMILES |
CN(C)C(=O)\C=C\c1ccc(S[C@@H]2Cc3cc(O)ccc3[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23)cc1
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| InChI |
InChI=1S/C29H35NO3S/c1-29-15-14-23-22-10-7-20(31)16-19(22)17-25(28(23)24(29)11-12-26(29)32)34-21-8-4-18(5-9-21)6-13-27(33)30(2)3/h4-10,13,16,23-26,28,31-32H,11-12,14-15,17H2,1-3H3/b13-6+/t23-,24+,25-,26+,28-,29+/m1/s1
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| InChIKey |
FROPUNBJULYSGP-YJSPFPDRSA-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