General Information of the Compound
| Compound ID |
CP0238145
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| Compound Name |
5-[(5R)-5-[[1-[(2-ethoxyphenyl)methyl]-2,3-dihydroindol-5-yl]carbamoyl]-2-methoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-5-oxopentanoic acid
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| Structure |
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| Formula |
C32H36N4O6
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| Molecular Weight |
572.662
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| Canonical SMILES |
CCOc1ccccc1CN1CCc2cc(NC(=O)[C@@H]3N(CCc4nc(OC)ccc34)C(=O)CCCC(O)=O)ccc12
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| InChI |
InChI=1S/C32H36N4O6/c1-3-42-27-8-5-4-7-22(27)20-35-17-15-21-19-23(11-13-26(21)35)33-32(40)31-24-12-14-28(41-2)34-25(24)16-18-36(31)29(37)9-6-10-30(38)39/h4-5,7-8,11-14,19,31H,3,6,9-10,15-18,20H2,1-2H3,(H,33,40)(H,38,39)/t31-/m1/s1
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| InChIKey |
JBMPOTPSNDYUGB-WJOKGBTCSA-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