General Information of the Compound
| Compound ID |
CP0450787
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| Compound Name |
US8846929, 18
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| Structure |
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| Formula |
C25H35N5O2
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| Molecular Weight |
437.588
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| Canonical SMILES |
O=C1CN(CCN1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C25H35N5O2/c31-23-18-29(17-14-26-23)24-25(32)30(22-11-7-6-10-21(22)27-24)20-12-15-28(16-13-20)19-8-4-2-1-3-5-9-19/h6-7,10-11,19-20H,1-5,8-9,12-18H2,(H,26,31)
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| InChIKey |
XPQRNKXMGBKCML-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