General Information of the Compound
| Compound ID |
CP0434197
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| Compound Name |
12-(benzotriazol-1-ylamino)dodecanoic acid
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| Structure |
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| Formula |
C18H28N4O2
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| Molecular Weight |
332.448
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| Canonical SMILES |
OC(=O)CCCCCCCCCCCNn1nnc2ccccc12
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| InChI |
InChI=1S/C18H28N4O2/c23-18(24)14-8-6-4-2-1-3-5-7-11-15-19-22-17-13-10-9-12-16(17)20-21-22/h9-10,12-13,19H,1-8,11,14-15H2,(H,23,24)
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| InChIKey |
BJNYIAIVHVKNLU-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