General Information of the Compound
| Compound ID |
CP0155947
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| Compound Name |
(7R,8R,9S,13S,14S,17S)-7-[4-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)triazol-4-yl]butyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
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| Structure |
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| Formula |
C33H41N3O4
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| Molecular Weight |
543.708
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCc1cn(CC2COc4ccccc4O2)nn1)Cc1cc(O)ccc31
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| InChI |
InChI=1S/C33H41N3O4/c1-33-15-14-27-26-11-10-24(37)17-22(26)16-21(32(27)28(33)12-13-31(33)38)6-2-3-7-23-18-36(35-34-23)19-25-20-39-29-8-4-5-9-30(29)40-25/h4-5,8-11,17-18,21,25,27-28,31-32,37-38H,2-3,6-7,12-16,19-20H2,1H3/t21-,25?,27-,28+,31+,32-,33+/m1/s1
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| InChIKey |
AWCSWPAAFIXQFA-GWCQTFJGSA-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