General Information of the Compound
| Compound ID |
CP0461331
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| Compound Name |
[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl] 6-chloro-3-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-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)Cc1coc2cc(Cl)c(cc12)C(=O)Oc1ccncc1C(=O)N1CCN(C2CC2)c2ccccc12
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| InChI |
InChI=1S/C32H29ClN4O7/c1-2-42-30(39)17-35-29(38)13-19-18-43-28-15-24(33)22(14-21(19)28)32(41)44-27-9-10-34-16-23(27)31(40)37-12-11-36(20-7-8-20)25-5-3-4-6-26(25)37/h3-6,9-10,14-16,18,20H,2,7-8,11-13,17H2,1H3,(H,35,38)
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| InChIKey |
ZTZXQRSNEBZXKU-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