General Information of the Compound
| Compound ID |
CP0248106
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| Compound Name |
2-[1-[4-chloro-2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C23H24ClN3O3
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| Molecular Weight |
425.916
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| Canonical SMILES |
CCN(Cc1cc(Cl)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(=O)C1CC1
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| InChI |
InChI=1S/C23H24ClN3O3/c1-3-26(23(30)15-5-6-15)12-17-10-18(24)7-9-20(17)27-13-16(11-21(28)29)19-8-4-14(2)25-22(19)27/h4,7-10,13,15H,3,5-6,11-12H2,1-2H3,(H,28,29)
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| InChIKey |
CIRZXUJVLFDBMJ-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