General Information of the Compound
| Compound ID |
CP0465819
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| Compound Name |
4,17,20-trimethyl-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-hexaene-3,12-dione
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| Structure |
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| Formula |
C30H30N4O4
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| Molecular Weight |
510.594
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| Canonical SMILES |
CN1Cc2cccc(NC(=O)OCCc3c(C)cc(cc3C)C(Nc3ccc4cc[nH]c(=O)c4c3)C1=O)c2
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| InChI |
InChI=1S/C30H30N4O4/c1-18-13-22-14-19(2)25(18)10-12-38-30(37)33-23-6-4-5-20(15-23)17-34(3)29(36)27(22)32-24-8-7-21-9-11-31-28(35)26(21)16-24/h4-9,11,13-16,27,32H,10,12,17H2,1-3H3,(H,31,35)(H,33,37)
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| InChIKey |
JQCLGDHGXLLRCZ-UHFFFAOYSA-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