General Information of the Compound
| Compound ID |
CP0533260
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| Compound Name |
4-[(1S)-1-[[3-(oxan-4-ylmethyl)-5-phenyltriazole-4-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C24H26N4O4
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| Molecular Weight |
434.496
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| Canonical SMILES |
C[C@H](NC(=O)c1c(nnn1CC1CCOCC1)-c1ccccc1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C24H26N4O4/c1-16(18-7-9-20(10-8-18)24(30)31)25-23(29)22-21(19-5-3-2-4-6-19)26-27-28(22)15-17-11-13-32-14-12-17/h2-10,16-17H,11-15H2,1H3,(H,25,29)(H,30,31)/t16-/m0/s1
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| InChIKey |
KBHDOBQYIOHKEB-INIZCTEOSA-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