General Information of the Compound
| Compound ID |
CP0541464
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| Compound Name |
methyl (3R)-3-[(5R,8S,9S,10R,12R,14R,16S)-12-hydroxy-16-methoxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]butanoate
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| Structure |
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| Formula |
C28H44O5
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| Molecular Weight |
460.655
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| Canonical SMILES |
CO[C@H]1C[C@@]2(C)C([C@H](O)C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)=C1[C@H](C)CC(=O)OC
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| InChI |
InChI=1S/C28H44O5/c1-16(13-22(31)33-8)23-18(32-7)15-28(6)24(23)17(29)14-20-26(4)11-10-21(30)25(2,3)19(26)9-12-27(20,28)5/h16-20,29H,9-15H2,1-8H3/t16-,17-,18+,19+,20+,26+,27+,28+/m1/s1
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| InChIKey |
VSMFGAYJUSCTLV-PZBWGBTKSA-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