General Information of the Compound
| Compound ID |
CP0414093
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| Compound Name |
4-[4-[3-(cyclopropylamino)propoxy]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]benzoic acid
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| Structure |
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| Formula |
C33H39NO3
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| Molecular Weight |
497.679
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| Canonical SMILES |
CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(ccc1OCCCNC1CC1)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C33H39NO3/c1-32(2)16-17-33(3,4)29-21-25(10-14-28(29)32)27-20-24(22-6-8-23(9-7-22)31(35)36)11-15-30(27)37-19-5-18-34-26-12-13-26/h6-11,14-15,20-21,26,34H,5,12-13,16-19H2,1-4H3,(H,35,36)
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| InChIKey |
OGLIECHDQHKIDU-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: PT01475, Retinoic acid receptor alpha
Protein ID: PT01452, Retinoic acid receptor beta
Protein ID: PT01806, Retinoic acid receptor gamma