General Information of the Compound
| Compound ID |
CP0488271
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| Compound Name |
2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-N,N-dimethylacetamide
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| Structure |
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| Formula |
C31H53NO3
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| Molecular Weight |
487.769
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| Canonical SMILES |
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCC(=O)N(C)C
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| InChI |
InChI=1S/C31H53NO3/c1-21(9-8-16-29(2,3)34)25-12-13-26-24-11-10-22-19-23(35-20-28(33)32(6)7)14-17-30(22,4)27(24)15-18-31(25,26)5/h10,21,23-27,34H,8-9,11-20H2,1-7H3/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
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| InChIKey |
MVDUHCFMFSIKNS-MIXBDBMTSA-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