General Information of the Compound
| Compound ID |
CP0494308
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| Compound Name |
2-[6-methyl-1-[4-methyl-2-[(5-methyltriazol-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C21H21N5O2
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| Molecular Weight |
375.432
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| Canonical SMILES |
Cc1cnnn1Cc1cc(C)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12
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| InChI |
InChI=1S/C21H21N5O2/c1-13-4-7-19(17(8-13)12-26-15(3)10-22-24-26)25-11-16(9-20(27)28)18-6-5-14(2)23-21(18)25/h4-8,10-11H,9,12H2,1-3H3,(H,27,28)
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| InChIKey |
JKVCLGBXNKAWEQ-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