General Information of the Compound
| Compound ID |
CP0476604
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| Compound Name |
(2R)-7-ethylsulfonyl-4-methyl-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-13-oxa-4,11-diazatricyclo[14.2.2.16,10]henicosa-1(19),6,8,10(21),16(20),17-hexaene-3,12-dione
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| Structure |
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| Formula |
C30H30N4O6S
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| Molecular Weight |
574.659
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| Canonical SMILES |
CCS(=O)(=O)c1ccc2NC(=O)OCCc3ccc(cc3)[C@@H](Nc3ccc4cc[nH]c(=O)c4c3)C(=O)N(C)Cc1c2
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| InChI |
InChI=1S/C30H30N4O6S/c1-3-41(38,39)26-11-10-23-16-22(26)18-34(2)29(36)27(21-6-4-19(5-7-21)13-15-40-30(37)33-23)32-24-9-8-20-12-14-31-28(35)25(20)17-24/h4-12,14,16-17,27,32H,3,13,15,18H2,1-2H3,(H,31,35)(H,33,37)/t27-/m1/s1
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| InChIKey |
OGQMEBCFZZRVNB-HHHXNRCGSA-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