General Information of the Compound
| Compound ID |
CP0465441
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| Compound Name |
3-[[(8R,9S,13S,14S,16R,17S)-3-(bromomethyl)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
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| Structure |
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| Formula |
C27H32BrNO2
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| Molecular Weight |
482.462
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(CBr)ccc34)[C@@H]1C[C@H](Cc1cccc(c1)C(N)=O)[C@@H]2O
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| InChI |
InChI=1S/C27H32BrNO2/c1-27-10-9-22-21-7-5-17(15-28)13-18(21)6-8-23(22)24(27)14-20(25(27)30)12-16-3-2-4-19(11-16)26(29)31/h2-5,7,11,13,20,22-25,30H,6,8-10,12,14-15H2,1H3,(H2,29,31)/t20-,22+,23+,24-,25-,27-/m0/s1
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| InChIKey |
OAOBRZGVCADFIY-PJKONWPJSA-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