General Information of the Compound
| Compound ID |
CP0186507
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| Compound Name |
1-((6-((1R,2R)-2-(diethylamino)-1-(1H-imidazol-1-yl)propyl)naphthalen-2-yloxy)methyl)cyclopentanecarboxylic 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 |
CCN(CC)[C@H](C)[C@@H](c1ccc2cc(OCC3(CCCC3)C(O)=O)ccc2c1)n1ccnc1
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| InChI |
InChI=1S/C27H35N3O3/c1-4-29(5-2)20(3)25(30-15-14-28-19-30)23-9-8-22-17-24(11-10-21(22)16-23)33-18-27(26(31)32)12-6-7-13-27/h8-11,14-17,19-20,25H,4-7,12-13,18H2,1-3H3,(H,31,32)/t20-,25+/m1/s1
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| InChIKey |
OWYKGJWNYSCISK-NLFFAJNJSA-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