General Information of the Compound
| Compound ID |
CP0459596
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| Compound Name |
2-[3-[[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]acetic acid
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| Structure |
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| Formula |
C24H29N3O4
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| Molecular Weight |
423.513
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| Canonical SMILES |
CCN(Cc1ccccc1Cc1c(C)n(CC(O)=O)c2CCNC(=O)c12)C(=O)C1CC1
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| InChI |
InChI=1S/C24H29N3O4/c1-3-26(24(31)16-8-9-16)13-18-7-5-4-6-17(18)12-19-15(2)27(14-21(28)29)20-10-11-25-23(30)22(19)20/h4-7,16H,3,8-14H2,1-2H3,(H,25,30)(H,28,29)
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| InChIKey |
DTOPAFQVLZEENR-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