General Information of the Compound
| Compound ID |
CP0864927
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| Compound Name |
N-{2-[3-endo-(3-carbamoyl-phenyl)-8-aza-bicyclo[3.2.1]oct-8-yl]ethyl}-N-cyclohexylmethyl-succinamic acid methyl ester
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| Formula |
C28H41N3O4
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| Molecular Weight |
483.653
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| Canonical SMILES |
COC(=O)CCC(=O)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1
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| InChI |
InChI=1S/C28H41N3O4/c1-35-27(33)13-12-26(32)30(19-20-6-3-2-4-7-20)14-15-31-24-10-11-25(31)18-23(17-24)21-8-5-9-22(16-21)28(29)34/h5,8-9,16,20,23-25H,2-4,6-7,10-15,17-19H2,1H3,(H2,29,34)/t23-,24+,25-
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| InChIKey |
KODBXXPNDCJHLE-QEIWAGNOSA-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