General Information of the Compound
| Compound ID |
CP0443713
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| Compound Name |
US8846929, 326
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| Formula |
C35H51N5O5
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| Molecular Weight |
621.823
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| Canonical SMILES |
CCOC(=O)[C@@H]1CN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C[C@H]1C(=O)OCC
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| InChI |
InChI=1S/C35H51N5O5/c1-3-44-34(42)28-22-38(23-29(28)35(43)45-4-2)19-18-36-32-33(41)40(31-15-11-10-14-30(31)37-32)27-20-25-16-17-26(21-27)39(25)24-12-8-6-5-7-9-13-24/h10-11,14-15,24-29H,3-9,12-13,16-23H2,1-2H3,(H,36,37)/t25-,26+,27+,28-,29-/m1/s1
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| InChIKey |
RBFCZPNZEDDEBO-JYJZCUDQSA-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