General Information of the Compound
| Compound ID |
CP0395603
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| Compound Name |
3-[[(8R,9S,13S,14S,16R,17S)-3-(3-bromopropyl)-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 |
C29H36BrNO2
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| Molecular Weight |
510.516
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(CCCBr)ccc34)[C@@H]1C[C@H](Cc1cccc(c1)C(N)=O)[C@@H]2O
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| InChI |
InChI=1S/C29H36BrNO2/c1-29-12-11-24-23-9-7-18(5-3-13-30)14-20(23)8-10-25(24)26(29)17-22(27(29)32)16-19-4-2-6-21(15-19)28(31)33/h2,4,6-7,9,14-15,22,24-27,32H,3,5,8,10-13,16-17H2,1H3,(H2,31,33)/t22-,24+,25+,26-,27-,29-/m0/s1
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| InChIKey |
SYOBAYCGHNHJJP-XXOXGGEOSA-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