General Information of the Compound
| Compound ID |
CP0443717
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| Compound Name |
US8846929, 302
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| Formula |
C25H35N3O3
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| Molecular Weight |
425.573
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| Canonical SMILES |
CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C(C)CC(C)C)c1=O
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| InChI |
InChI=1S/C25H35N3O3/c1-5-31-25(30)23-24(29)28(22-12-7-6-11-21(22)26-23)20-14-18-9-8-10-19(15-20)27(18)17(4)13-16(2)3/h6-7,11-12,16-20H,5,8-10,13-15H2,1-4H3/t17?,18-,19+,20+
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| InChIKey |
BKCGHJRJWFIQGY-ZNJNOCQWSA-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