General Information of the Compound
| Compound ID |
CP0919309
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| Compound Name |
US8846929, 71
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| Structure |
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| Formula |
C22H29N3O3
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| Molecular Weight |
383.492
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| Canonical SMILES |
O=C(O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O
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| InChI |
InChI=1S/C22H29N3O3/c26-21-20(22(27)28)23-18-10-6-7-11-19(18)25(21)17-12-14-24(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,27,28)
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| InChIKey |
VLNPNFXOKUKJAK-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