General Information of the Compound
| Compound ID |
CP0335716
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| Compound Name |
(8S,11R,13S,14S,17S)-11-(4-allyloxy-3-chloro-5-methyl-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 |
C31H35ClO3
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| Molecular Weight |
491.071
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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)c1cc(C)c(OCC=C)c(Cl)c1
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| InChI |
InChI=1S/C31H35ClO3/c1-5-12-31(34)13-11-26-24-9-7-20-16-22(33)8-10-23(20)28(24)25(18-30(26,31)4)21-15-19(3)29(27(32)17-21)35-14-6-2/h6,15-17,24-26,34H,2,7-11,13-14,18H2,1,3-4H3/t24-,25+,26-,30-,31-/m0/s1
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| InChIKey |
HHEJILKHHRJADH-XCBJYZPPSA-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