General Information of the Compound
| Compound ID |
CP0424452
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| Compound Name |
N-[2-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]ethyl]-2-(2-methoxyphenyl)acetamide
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| Structure |
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| Formula |
C33H35N3O5
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| Molecular Weight |
553.659
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| Canonical SMILES |
CCOc1c2C(=O)N(Cc2c(OCC)c2ncccc12)c1ccc(CCNC(=O)Cc2ccccc2OC)cc1C
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| InChI |
InChI=1S/C33H35N3O5/c1-5-40-31-24-11-9-16-35-30(24)32(41-6-2)25-20-36(33(38)29(25)31)26-14-13-22(18-21(26)3)15-17-34-28(37)19-23-10-7-8-12-27(23)39-4/h7-14,16,18H,5-6,15,17,19-20H2,1-4H3,(H,34,37)
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| InChIKey |
ZWBDUXHGKGRKRI-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