General Information of the Compound
| Compound ID |
CP0545896
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| Compound Name |
US8846929, 270
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| Formula |
C28H25N3O3
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| Molecular Weight |
451.526
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| Canonical SMILES |
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2Cc3cccc4cccc2c34)c1=O
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| InChI |
InChI=1S/C28H25N3O3/c32-27-26(28(33)34)29-22-9-1-2-10-23(22)31(27)20-14-18-11-12-19(15-20)30(18)24-13-17-7-3-5-16-6-4-8-21(24)25(16)17/h1-10,18-20,24H,11-15H2,(H,33,34)/t18-,19+,20+,24?
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| InChIKey |
BLRAGFCKLNHBLG-VSAVNLLRSA-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