General Information of the Compound
| Compound ID |
CP0476605
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| Compound Name |
(2R,8R)-20,23-dimethyl-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-16-oxa-4,14-diazatetracyclo[17.2.2.19,13.04,8]tetracosa-1(22),9(24),10,12,19(23),20-hexaene-3,15-dione
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| Structure |
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| Formula |
C32H32N4O4
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| Molecular Weight |
536.632
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| Canonical SMILES |
Cc1cc2cc(C)c1CCOC(=O)Nc1cccc(c1)[C@H]1CCCN1C(=O)[C@@H]2Nc1ccc2cc[nH]c(=O)c2c1
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| InChI |
InChI=1S/C32H32N4O4/c1-19-15-23-16-20(2)26(19)11-14-40-32(39)35-24-6-3-5-22(17-24)28-7-4-13-36(28)31(38)29(23)34-25-9-8-21-10-12-33-30(37)27(21)18-25/h3,5-6,8-10,12,15-18,28-29,34H,4,7,11,13-14H2,1-2H3,(H,33,37)(H,35,39)/t28-,29-/m1/s1
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| InChIKey |
PRWDXIMAKHXALE-FQLXRVMXSA-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