General Information of the Compound
| Compound ID |
CP0575506
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| Compound Name |
2-[3-[[5-amino-3-(4-cyanoanilino)-1,2,4-triazole-1-carbonyl]amino]phenoxy]acetic acid
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| Structure |
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| Formula |
C18H15N7O4
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| Molecular Weight |
393.363
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| Canonical SMILES |
Nc1nc(Nc2ccc(cc2)C#N)nn1C(=O)Nc1cccc(OCC(O)=O)c1
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| InChI |
InChI=1S/C18H15N7O4/c19-9-11-4-6-12(7-5-11)21-17-23-16(20)25(24-17)18(28)22-13-2-1-3-14(8-13)29-10-15(26)27/h1-8H,10H2,(H,22,28)(H,26,27)(H3,20,21,23,24)
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| InChIKey |
FZDKDFDAVCUOQW-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