General Information of the Compound
| Compound ID |
CP0533955
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| Compound Name |
[(5R,8S,9S,10S,11S,14R,16R)-17-[(2R,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-16-yl] acetate
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| Structure |
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| Formula |
C32H50O6
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| Molecular Weight |
530.746
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| Canonical SMILES |
C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)C[C@H]1OC(C)=O
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| InChI |
InChI=1S/C32H50O6/c1-17(14-21(35)27-29(5,6)38-27)25-19-15-20(34)26-30(7)12-11-24(36)28(3,4)23(30)10-13-31(26,8)32(19,9)16-22(25)37-18(2)33/h17,20-23,26-27,34-35H,10-16H2,1-9H3/t17-,20+,21+,22-,23+,26+,27-,30+,31+,32+/m1/s1
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| InChIKey |
VFWCUVFAZXGMDY-XIXGZJOYSA-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