General Information of the Compound
| Compound ID |
CP0412569
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| Compound Name |
US8846929, 126
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| Structure |
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| Formula |
C27H40N4O4
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| Molecular Weight |
484.641
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| Canonical SMILES |
C[C@]12CC[C@H](C[C@@H](C1)N1C(=O)C(N[C@@H](CO)C(O)=O)Nc3ccccc13)N2C1CCCCCCC1
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| InChI |
InChI=1S/C27H40N4O4/c1-27-14-13-19(31(27)18-9-5-3-2-4-6-10-18)15-20(16-27)30-23-12-8-7-11-21(23)28-24(25(30)33)29-22(17-32)26(34)35/h7-8,11-12,18-20,22,24,28-29,32H,2-6,9-10,13-17H2,1H3,(H,34,35)/t19-,20+,22+,24?,27+/m1/s1
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| InChIKey |
OISHVNQWAMEVNR-UEWFJKSBSA-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