General Information of the Compound
| Compound ID |
CP0882777
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| Compound Name |
endo-8-(bis(2-chlorophenyl)methyl)-3-(5-carbamoylpyridin-2-yl)-8-azabicyclo[3.2.1]octane-3-carboxamide
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| Formula |
C27H26Cl2N4O2
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| Molecular Weight |
509.437
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| Canonical SMILES |
NC(=O)c1ccc([C@@]2(C(N)=O)C[C@H]3CC[C@@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1
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| InChI |
InChI=1S/C27H26Cl2N4O2/c28-21-7-3-1-5-19(21)24(20-6-2-4-8-22(20)29)33-17-10-11-18(33)14-27(13-17,26(31)35)23-12-9-16(15-32-23)25(30)34/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,34)(H2,31,35)/t17-,18+,27-
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| InChIKey |
ICMCDZNDWXJNGE-SCDHDWPVSA-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