General Information of the Compound
| Compound ID |
CP0549890
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| Compound Name |
1-(3-hexoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid
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| Structure |
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| Formula |
C27H35N3O3
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| Molecular Weight |
449.595
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| Canonical SMILES |
CCCCCCOc1cc2c(cc1-n1nnc3cc(ccc13)C(O)=O)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C27H35N3O3/c1-6-7-8-9-14-33-24-17-20-19(26(2,3)12-13-27(20,4)5)16-23(24)30-22-11-10-18(25(31)32)15-21(22)28-29-30/h10-11,15-17H,6-9,12-14H2,1-5H3,(H,31,32)
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| InChIKey |
QIOKSPZUTVTTSH-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