General Information of the Compound
| Compound ID |
CP0544986
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| Compound Name |
US9290488, B2a(ii)
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| Formula |
C29H38N4O3
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| Molecular Weight |
490.648
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| Canonical SMILES |
OC(=O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O
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| InChI |
InChI=1S/C29H38N4O3/c34-28-27(31-12-11-26(31)29(35)36)30-24-9-1-2-10-25(24)33(28)23-16-20-7-4-8-21(17-23)32(20)22-14-18-5-3-6-19(13-18)15-22/h1-2,9-10,18-23,26H,3-8,11-17H2,(H,35,36)/t18-,19+,20-,21+,22+,23+,26-/m0/s1
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| InChIKey |
FQAQAGMTMTXLRQ-OGXPWPJRSA-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