General Information of the Compound
| Compound ID |
CP0448855
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| Compound Name |
[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl] 6-chloro-2-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-methyl-1-benzofuran-5-carboxylate
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| Structure |
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| Formula |
C32H29ClN4O7
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| Molecular Weight |
617.058
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| Canonical SMILES |
CCOC(=O)CNC(=O)c1oc2cc(Cl)c(cc2c1C)C(=O)Oc1ccncc1C(=O)N1CCN(C2CC2)c2ccccc12
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| InChI |
InChI=1S/C32H29ClN4O7/c1-3-42-28(38)17-35-30(39)29-18(2)20-14-21(23(33)15-27(20)43-29)32(41)44-26-10-11-34-16-22(26)31(40)37-13-12-36(19-8-9-19)24-6-4-5-7-25(24)37/h4-7,10-11,14-16,19H,3,8-9,12-13,17H2,1-2H3,(H,35,39)
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| InChIKey |
XDFHPGCORBLBSQ-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