General Information of the Compound
| Compound ID |
CP0533194
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| Compound Name |
2-[1-[4-chloro-2-[(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C23H22ClN5O2
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| Molecular Weight |
435.915
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| Canonical SMILES |
Cc1nnc(C2CC2)n1Cc1cc(Cl)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12
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| InChI |
InChI=1S/C23H22ClN5O2/c1-13-3-7-19-16(10-21(30)31)11-29(23(19)25-13)20-8-6-18(24)9-17(20)12-28-14(2)26-27-22(28)15-4-5-15/h3,6-9,11,15H,4-5,10,12H2,1-2H3,(H,30,31)
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| InChIKey |
KHDXCFXYTOEUKJ-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