General Information of the Compound
| Compound ID |
CP0466709
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| Compound Name |
US8846929, 123
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| Formula |
C30H37N5O3
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| Molecular Weight |
515.658
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| Canonical SMILES |
COc1ccc(NC(=O)c2nc3ccccc3n([C@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)cn1
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| InChI |
InChI=1S/C30H37N5O3/c1-38-27-16-13-20(19-31-27)32-29(36)28-30(37)35(26-12-8-7-11-25(26)33-28)24-17-22-14-15-23(18-24)34(22)21-9-5-3-2-4-6-10-21/h7-8,11-13,16,19,21-24H,2-6,9-10,14-15,17-18H2,1H3,(H,32,36)/t22-,23+,24-
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| InChIKey |
MQPHXDFBKUCNOD-BKFWDETESA-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