General Information of the Compound
| Compound ID |
CP0530129
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| Compound Name |
US10118915, Compound 355
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| Structure |
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| Formula |
C23H31N5O
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| Molecular Weight |
393.535
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| Canonical SMILES |
CCc1ccc2nc(N3CCC(CC3)NCC(C)C)c(cc2c1)-c1nc(C)no1
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| InChI |
InChI=1S/C23H31N5O/c1-5-17-6-7-21-18(12-17)13-20(23-25-16(4)27-29-23)22(26-21)28-10-8-19(9-11-28)24-14-15(2)3/h6-7,12-13,15,19,24H,5,8-11,14H2,1-4H3
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| InChIKey |
JTFHVEYAVQAEGK-UHFFFAOYSA-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