General Information of the Compound
| Compound ID |
CP0558379
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| Compound Name |
[(5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-3-oxo-17-[(2R)-2,6,6-trimethyloxan-2-yl]-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] 2-[5-(4-methoxyphenyl)tetrazol-1-yl]acetate
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| Formula |
C40H58N4O5
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| Molecular Weight |
674.927
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| Canonical SMILES |
COc1ccc(cc1)-c1nnnn1CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@@H]([C@@H]12)[C@@]1(C)CCCC(C)(C)O1
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| InChI |
InChI=1S/C40H58N4O5/c1-35(2)18-10-19-40(8,49-35)27-15-21-39(7)33(27)28(23-30-37(5)20-17-31(45)36(3,4)29(37)16-22-38(30,39)6)48-32(46)24-44-34(41-42-43-44)25-11-13-26(47-9)14-12-25/h11-14,27-30,33H,10,15-24H2,1-9H3/t27-,28+,29-,30+,33-,37-,38+,39+,40+/m0/s1
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| InChIKey |
MPNKRNKNWBIKBO-KBWDBCOYSA-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