General Information of the Compound
| Compound ID |
CP0474030
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| Compound Name |
US10118915, Compound 542
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| Structure |
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| Formula |
C20H29N5O2
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| Molecular Weight |
371.485
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| Canonical SMILES |
Cc1noc(n1)-c1cc(C)cnc1N1CC[C@H](NC2CCCCC2)[C@@H](O)C1
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| InChI |
InChI=1S/C20H29N5O2/c1-13-10-16(20-22-14(2)24-27-20)19(21-11-13)25-9-8-17(18(26)12-25)23-15-6-4-3-5-7-15/h10-11,15,17-18,23,26H,3-9,12H2,1-2H3/t17-,18-/m0/s1
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| InChIKey |
GAFFUWMMWKYJFF-ROUUACIJSA-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
Protein ID: PT01515, Mu-type opioid receptor