General Information of the Compound
| Compound ID |
CP0578635
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| Compound Name |
3-[4-[[5-amino-3-[4-(methylcarbamoyl)anilino]-1,2,4-triazole-1-carbonyl]amino]phenyl]-5-phenylmethoxybenzoic acid
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| Structure |
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| Formula |
C31H27N7O5
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| Molecular Weight |
577.601
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| Canonical SMILES |
CNC(=O)c1ccc(Nc2nc(N)n(n2)C(=O)Nc2ccc(cc2)-c2cc(OCc3ccccc3)cc(c2)C(O)=O)cc1
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| InChI |
InChI=1S/C31H27N7O5/c1-33-27(39)21-9-13-24(14-10-21)34-30-36-29(32)38(37-30)31(42)35-25-11-7-20(8-12-25)22-15-23(28(40)41)17-26(16-22)43-18-19-5-3-2-4-6-19/h2-17H,18H2,1H3,(H,33,39)(H,35,42)(H,40,41)(H3,32,34,36,37)
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| InChIKey |
SPZYWXLERLDQNN-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