General Information of the Compound
| Compound ID |
CP0942370
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| Compound Name |
3-endo-(8-{2-[cyclohexylmethyl-((S)-2,3-dihydroxypropionyl)amino]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-benzoic acid
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| Formula |
C26H38N2O5
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| Molecular Weight |
458.599
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| Canonical SMILES |
O=C(O)c1cccc([C@H]2C[C@H]3CC[C@@H](C2)N3CCN(CC2CCCCC2)C(=O)[C@@H](O)CO)c1
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| InChI |
InChI=1S/C26H38N2O5/c29-17-24(30)25(31)27(16-18-5-2-1-3-6-18)11-12-28-22-9-10-23(28)15-21(14-22)19-7-4-8-20(13-19)26(32)33/h4,7-8,13,18,21-24,29-30H,1-3,5-6,9-12,14-17H2,(H,32,33)/t21-,22+,23-,24-/m0/s1
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| InChIKey |
IMYPTCHEIDWDTF-KIHHCIJBSA-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