General Information of the Compound
| Compound ID |
CP0538602
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| Compound Name |
6-[(2-tert-butyl-6-chloropyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
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| Structure |
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| Formula |
C18H18ClN3O2
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| Molecular Weight |
343.814
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| Canonical SMILES |
CC(C)(C)c1nn2cc(Cl)ccc2c1Cc1cccc(n1)C(O)=O
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| InChI |
InChI=1S/C18H18ClN3O2/c1-18(2,3)16-13(15-8-7-11(19)10-22(15)21-16)9-12-5-4-6-14(20-12)17(23)24/h4-8,10H,9H2,1-3H3,(H,23,24)
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| InChIKey |
GTRIWBXKXBBKLV-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