General Information of the Compound
| Compound ID |
CP0864385
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| Compound Name |
3-endo-(8-{2-[(trans-4-hydroxycyclohexylmethyl)-((S)-2,3-dihydroxypropionyl)amino]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-benzamide
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| Formula |
C26H39N3O5
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| Molecular Weight |
473.614
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| Canonical SMILES |
NC(=O)c1cccc([C@H]2C[C@H]3CC[C@@H](C2)N3CCN(C[C@H]2CC[C@H](O)CC2)C(=O)[C@@H](O)CO)c1
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| InChI |
InChI=1S/C26H39N3O5/c27-25(33)19-3-1-2-18(12-19)20-13-21-6-7-22(14-20)29(21)11-10-28(26(34)24(32)16-30)15-17-4-8-23(31)9-5-17/h1-3,12,17,20-24,30-32H,4-11,13-16H2,(H2,27,33)/t17-,20-,21+,22-,23-,24-/m0/s1
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| InChIKey |
ONNSAFYJKDFEFT-DXUCWRADSA-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: PT01188, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor