General Information of the Compound
| Compound ID |
CP0379947
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| Compound Name |
2-[1-[4-chloro-2-[[3-methyl-5-(2-phenylethyl)-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 |
C28H26ClN5O2
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| Molecular Weight |
500.002
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| Canonical SMILES |
Cc1nnc(CCc2ccccc2)n1Cc1cc(Cl)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12
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| InChI |
InChI=1S/C28H26ClN5O2/c1-18-8-11-24-21(15-27(35)36)16-34(28(24)30-18)25-12-10-23(29)14-22(25)17-33-19(2)31-32-26(33)13-9-20-6-4-3-5-7-20/h3-8,10-12,14,16H,9,13,15,17H2,1-2H3,(H,35,36)
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| InChIKey |
YBKQORIHYVWHHC-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