General Information of the Compound
| Compound ID |
CP0451601
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| Compound Name |
3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid
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| Structure |
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| Formula |
C16H14ClN3O2
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| Molecular Weight |
315.76
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| Canonical SMILES |
Cn1nnc2cc(ccc12)C(CC(O)=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C16H14ClN3O2/c1-20-15-7-4-11(8-14(15)18-19-20)13(9-16(21)22)10-2-5-12(17)6-3-10/h2-8,13H,9H2,1H3,(H,21,22)
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| InChIKey |
LCHKWRPFWJXZAW-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