General Information of the Compound
| Compound ID |
CP0383582
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| Compound Name |
US8846929, 99
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| Formula |
C29H40N4O3
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| Molecular Weight |
492.664
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| Canonical SMILES |
OC(=O)C1CCN(CC1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C29H40N4O3/c34-28-27(31-16-14-20(15-17-31)29(35)36)30-25-10-6-7-11-26(25)33(28)24-18-22-12-13-23(19-24)32(22)21-8-4-2-1-3-5-9-21/h6-7,10-11,20-24H,1-5,8-9,12-19H2,(H,35,36)/t22-,23+,24+
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| InChIKey |
BIIKQRYVAUBKEY-UBRQYEGLSA-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