General Information of the Compound
| Compound ID |
CP0866163
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| Compound Name |
3-endo-(8-{2-[cyclohexylmethyl-(1-hydroxycyclopropanecarbonyl)-amino]ethyl}-8-aza-bicyclo[3.2.1]oct-3-yl)-benzamide trifluoroacetate salt
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| Formula |
C29H40F3N3O5
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| Molecular Weight |
567.649
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| Canonical SMILES |
NC(=O)c1cccc([C@H]2C[C@H]3CC[C@@H](C2)N3CCN(CC2CCCCC2)C(=O)C2(O)CC2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C27H39N3O3.C2HF3O2/c28-25(31)21-8-4-7-20(15-21)22-16-23-9-10-24(17-22)30(23)14-13-29(26(32)27(33)11-12-27)18-19-5-2-1-3-6-19;3-2(4,5)1(6)7/h4,7-8,15,19,22-24,33H,1-3,5-6,9-14,16-18H2,(H2,28,31);(H,6,7)/t22-,23+,24-;
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| InChIKey |
GBLZTWPSDTXBRZ-MGJLCPRGSA-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