General Information of the Compound
| Compound ID |
CP0422754
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| Compound Name |
2,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methylpyridin-2-yl]methyl]pyridine-4-carboxamide
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| Formula |
C18H17Cl2N5O
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| Molecular Weight |
390.274
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| Canonical SMILES |
Cc1nn(C)cc1-c1cnc(CNC(=O)c2cc(Cl)nc(Cl)c2)cc1C
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| InChI |
InChI=1S/C18H17Cl2N5O/c1-10-4-13(21-8-14(10)15-9-25(3)24-11(15)2)7-22-18(26)12-5-16(19)23-17(20)6-12/h4-6,8-9H,7H2,1-3H3,(H,22,26)
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| InChIKey |
AAMZULUEZPUVKC-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
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2