General Information of the Compound
| Compound ID |
CP0848593
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| Compound Name |
3-endo-(8-{2-[1-cyclohexylmethyl-3-(4-fluorobenzyl)-ureido]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)benzamide
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| Formula |
C31H41FN4O2
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| Molecular Weight |
520.693
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| Canonical SMILES |
NC(=O)c1cccc([C@H]2C[C@H]3CC[C@@H](C2)N3CCN(CC2CCCCC2)C(=O)NCc2ccc(F)cc2)c1
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| InChI |
InChI=1S/C31H41FN4O2/c32-27-11-9-22(10-12-27)20-34-31(38)35(21-23-5-2-1-3-6-23)15-16-36-28-13-14-29(36)19-26(18-28)24-7-4-8-25(17-24)30(33)37/h4,7-12,17,23,26,28-29H,1-3,5-6,13-16,18-21H2,(H2,33,37)(H,34,38)/t26-,28+,29-
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| InChIKey |
AJINYHPYQAIJRY-RHKQRFKBSA-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