General Information of the Compound
| Compound ID |
CP0867066
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| Compound Name |
N-cyclohexylmethyl-N-{2-[3-endo-(3-hydroxy-phenyl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}malonamic acid
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| Formula |
C25H36N2O4
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| Molecular Weight |
428.573
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| Canonical SMILES |
O=C(O)CC(=O)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)CC1CCCCC1
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| InChI |
InChI=1S/C25H36N2O4/c28-23-8-4-7-19(15-23)20-13-21-9-10-22(14-20)27(21)12-11-26(24(29)16-25(30)31)17-18-5-2-1-3-6-18/h4,7-8,15,18,20-22,28H,1-3,5-6,9-14,16-17H2,(H,30,31)/t20-,21+,22-
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| InChIKey |
FVZOHPCTCALDNC-KOUNCHBCSA-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