General Information of the Compound
| Compound ID |
CP0134895
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| Compound Name |
3-(6-((1R,2R)-1-(1H-imidazol-1-yl)-2-(pyrrolidin-1-yl)propyl)naphthalen-2-yloxy)-2,2-dimethylpropanoic acid
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| Structure |
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| Formula |
C25H31N3O3
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| Molecular Weight |
421.541
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| Canonical SMILES |
C[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N1CCCC1
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| InChI |
InChI=1S/C25H31N3O3/c1-18(27-11-4-5-12-27)23(28-13-10-26-17-28)21-7-6-20-15-22(9-8-19(20)14-21)31-16-25(2,3)24(29)30/h6-10,13-15,17-18,23H,4-5,11-12,16H2,1-3H3,(H,29,30)/t18-,23+/m1/s1
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| InChIKey |
YVRFLLOKSKSKOM-JPYJTQIMSA-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