General Information of the Compound
| Compound ID |
CP0562535
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| Compound Name |
[(1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(5R,8S,9S,10S,11S,14R,16S)-16-ethoxy-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]butyl] acetate
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| Structure |
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| Formula |
C34H54O6
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| Molecular Weight |
558.8
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| Canonical SMILES |
CCO[C@H]1C[C@@]2(C)C(C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)=C1[C@H](C)C[C@H](OC(C)=O)[C@H]1OC1(C)C
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| InChI |
InChI=1S/C34H54O6/c1-11-38-24-18-34(10)21(27(24)19(2)16-23(39-20(3)35)29-31(6,7)40-29)17-22(36)28-32(8)14-13-26(37)30(4,5)25(32)12-15-33(28,34)9/h19,22-25,28-29,36H,11-18H2,1-10H3/t19-,22+,23+,24+,25+,28+,29-,32+,33+,34+/m1/s1
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| InChIKey |
XCWPBGZBCYHZRR-RLHODLSASA-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