General Information of the Compound
| Compound ID |
CP0468695
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| Compound Name |
2-[[6-[[pyridin-3-ylsulfonyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]methyl]pyridin-2-yl]amino]acetic acid
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| Structure |
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| Formula |
C22H21N7O4S
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| Molecular Weight |
479.522
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| Canonical SMILES |
OC(=O)CNc1cccc(CN(Cc2ccc(cc2)-n2cncn2)S(=O)(=O)c2cccnc2)n1
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| InChI |
InChI=1S/C22H21N7O4S/c30-22(31)12-25-21-5-1-3-18(27-21)14-28(34(32,33)20-4-2-10-23-11-20)13-17-6-8-19(9-7-17)29-16-24-15-26-29/h1-11,15-16H,12-14H2,(H,25,27)(H,30,31)
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| InChIKey |
OKOOWXRYUXLLAM-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