General Information of the Compound
| Compound ID |
CP0293077
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| Compound Name |
(8S,11R,13S,14S,17S)-11-(4-allyloxy-3-chloro-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C30H33ClO3
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| Molecular Weight |
477.044
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| Canonical SMILES |
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(OCC=C)c(Cl)c1
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| InChI |
InChI=1S/C30H33ClO3/c1-4-13-30(33)14-12-25-23-9-6-19-16-21(32)8-10-22(19)28(23)24(18-29(25,30)3)20-7-11-27(26(31)17-20)34-15-5-2/h5,7,11,16-17,23-25,33H,2,6,8-10,12,14-15,18H2,1,3H3/t23-,24+,25-,29-,30-/m0/s1
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| InChIKey |
OCBZHBVFZWLWCD-IJZXRLSJSA-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