General Information of the Compound
| Compound ID |
CP0498506
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| Compound Name |
4-(5-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)isoxazol-3-yl)benzoic acid
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| Structure |
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| Formula |
C24H25NO3
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| Molecular Weight |
375.468
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| Canonical SMILES |
CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(no1)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C24H25NO3/c1-23(2)11-12-24(3,4)19-13-17(9-10-18(19)23)21-14-20(25-28-21)15-5-7-16(8-6-15)22(26)27/h5-10,13-14H,11-12H2,1-4H3,(H,26,27)
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| InChIKey |
WBCIOPIRIDDQSE-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02516, Multidrug resistance-associated protein 1