General Information of the Compound
| Compound ID |
CP0520122
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| Compound Name |
4-[(1S)-1-[[3-[(3-methoxyphenyl)methyl]-5-phenyltriazole-4-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C26H24N4O4
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| Molecular Weight |
456.502
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| Canonical SMILES |
COc1cccc(Cn2nnc(c2C(=O)N[C@@H](C)c2ccc(cc2)C(O)=O)-c2ccccc2)c1
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| InChI |
InChI=1S/C26H24N4O4/c1-17(19-11-13-21(14-12-19)26(32)33)27-25(31)24-23(20-8-4-3-5-9-20)28-29-30(24)16-18-7-6-10-22(15-18)34-2/h3-15,17H,16H2,1-2H3,(H,27,31)(H,32,33)/t17-/m0/s1
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| InChIKey |
LQJGONYAKPEXCP-KRWDZBQOSA-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