General Information of the Compound
| Compound ID |
CP0575075
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| Compound Name |
[2-[[1-(4-methoxyphenyl)triazol-4-yl]methylamino]-2-oxoethyl] (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
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| Formula |
C41H50N4O6
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| Molecular Weight |
694.873
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| Canonical SMILES |
COc1ccc(cc1)-n1cc(CNC(=O)COC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(C)=C(O)C(=O)C=C6[C@]5(C)CC[C@@]4(C)[C@@H]3C2)nn1
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| InChI |
InChI=1S/C41H50N4O6/c1-25-29-12-13-32-39(4,30(29)20-31(46)35(25)48)17-19-41(6)33-21-38(3,15-14-37(33,2)16-18-40(32,41)5)36(49)51-24-34(47)42-22-26-23-45(44-43-26)27-8-10-28(50-7)11-9-27/h8-13,20,23,33,48H,14-19,21-22,24H2,1-7H3,(H,42,47)/t33-,37-,38-,39+,40-,41+/m1/s1
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| InChIKey |
OJGDXRLMIHDWKO-DZOSJAHZSA-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