General Information of the Compound
| Compound ID |
CP0517947
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| Compound Name |
US8637502, 6
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| Structure |
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| Formula |
C21H29N3O2
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| Molecular Weight |
355.482
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| Canonical SMILES |
O=c1[nH]c2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C21H29N3O2/c25-20-21(26)24(19-11-7-6-10-18(19)22-20)17-12-14-23(15-13-17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-17H,1-5,8-9,12-15H2,(H,22,25)
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| InChIKey |
NMRCIXCOZCASLP-UHFFFAOYSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01360, Nociceptin receptor