General Information of the Compound
| Compound ID |
CP0402464
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| Compound Name |
US9290488, B34a
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| Formula |
C31H42N4O3
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| Molecular Weight |
518.702
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| Canonical SMILES |
C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC(CC(O)=O)C2)c1=O
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| InChI |
InChI=1S/C31H42N4O3/c1-19-9-20-11-21(10-19)13-25(12-20)34-23-5-4-6-24(34)16-26(15-23)35-28-8-3-2-7-27(28)32-30(31(35)38)33-17-22(18-33)14-29(36)37/h2-3,7-8,19-26H,4-6,9-18H2,1H3,(H,36,37)/t19-,20-,21+,23-,24+,25+,26+
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| InChIKey |
FPFHILQBEGTPLJ-NYALPDIWSA-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