General Information of the Compound
| Compound ID |
CP0423619
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| Compound Name |
methyl N-[(1R,5R)-8-[bis(2-chlorophenyl)methyl]-3-(5-fluoropyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate
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| Structure |
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| Formula |
C27H26Cl2FN3O2
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| Molecular Weight |
514.428
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| Canonical SMILES |
COC(=O)NC1(C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(F)cn1
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| InChI |
InChI=1S/C27H26Cl2FN3O2/c1-35-26(34)32-27(24-13-10-17(30)16-31-24)14-18-11-12-19(15-27)33(18)25(20-6-2-4-8-22(20)28)21-7-3-5-9-23(21)29/h2-10,13,16,18-19,25H,11-12,14-15H2,1H3,(H,32,34)/t18-,19-/m1/s1
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| InChIKey |
VENQODNWCYDESL-RTBURBONSA-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor