General Information of the Compound
| Compound ID |
CP0864929
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| Compound Name |
1-cyclohexylmethyl-3-(3-fluorophenyl)-1-{2-[3-endo-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}urea
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| Formula |
C29H38FN3O2
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| Molecular Weight |
479.64
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| Canonical SMILES |
O=C(Nc1cccc(F)c1)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)CC1CCCCC1
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| InChI |
InChI=1S/C29H38FN3O2/c30-24-9-5-10-25(19-24)31-29(35)32(20-21-6-2-1-3-7-21)14-15-33-26-12-13-27(33)17-23(16-26)22-8-4-11-28(34)18-22/h4-5,8-11,18-19,21,23,26-27,34H,1-3,6-7,12-17,20H2,(H,31,35)/t23-,26+,27-
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| InChIKey |
MJTJFVOVKDZODC-LRGKQRPYSA-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