General Information of the Compound
| Compound ID |
CP0503746
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| Compound Name |
US8846929, 44
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| Structure |
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| Formula |
C32H40N4O3
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| Molecular Weight |
528.697
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| Canonical SMILES |
COC(=O)c1ccc2CCN(Cc2c1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C32H40N4O3/c1-39-32(38)24-14-13-23-15-18-35(22-25(23)21-24)30-31(37)36(29-12-8-7-11-28(29)33-30)27-16-19-34(20-17-27)26-9-5-3-2-4-6-10-26/h7-8,11-14,21,26-27H,2-6,9-10,15-20,22H2,1H3
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| InChIKey |
FQZYFIYBPFXEFC-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