General Information of the Compound
| Compound ID |
CP0529290
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| Compound Name |
US8846929, 320
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| Formula |
C25H29N3O3
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| Molecular Weight |
419.525
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| Canonical SMILES |
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CC4CC2CC(C3)C4)c1=O
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| InChI |
InChI=1S/C25H29N3O3/c29-23-22(24(30)31)26-20-3-1-2-4-21(20)27(23)19-10-17-5-6-18(11-19)28(17)25-12-14-7-15(13-25)9-16(25)8-14/h1-4,14-19H,5-13H2,(H,30,31)/t14?,15?,16?,17-,18+,19+,25?
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| InChIKey |
OZNDXFHVAUDQDB-HVGMEFTQSA-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