General Information of the Compound
| Compound ID |
CP0558573
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| Compound Name |
ethyl 2-[(2R,5R)-17,20-dimethyl-3,12-dioxo-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-13-oxa-4,11-diazatricyclo[14.2.2.16,10]henicosa-1(19),6(21),7,9,16(20),17-hexaen-5-yl]acetate
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| Structure |
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| Formula |
C33H34N4O6
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| Molecular Weight |
582.657
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| Canonical SMILES |
CCOC(=O)C[C@H]1NC(=O)[C@H](Nc2ccc3cc[nH]c(=O)c3c2)c2cc(C)c(CCOC(=O)Nc3cccc1c3)c(C)c2
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| InChI |
InChI=1S/C33H34N4O6/c1-4-42-29(38)18-28-22-6-5-7-24(16-22)36-33(41)43-13-11-26-19(2)14-23(15-20(26)3)30(32(40)37-28)35-25-9-8-21-10-12-34-31(39)27(21)17-25/h5-10,12,14-17,28,30,35H,4,11,13,18H2,1-3H3,(H,34,39)(H,36,41)(H,37,40)/t28-,30-/m1/s1
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| InChIKey |
HOFCWBQBUKWVBU-PQHLKRTFSA-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