General Information of the Compound
| Compound ID |
CP0518184
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| Compound Name |
US9090618, ZA26
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| Structure |
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| Formula |
C23H35N5O
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| Molecular Weight |
397.567
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| Canonical SMILES |
CCOC(=N)\N=c1/[nH]c2ccccc2n1C1CCN(CC1)C1CCCCCCC1
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| InChI |
InChI=1S/C23H35N5O/c1-2-29-22(24)26-23-25-20-12-8-9-13-21(20)28(23)19-14-16-27(17-15-19)18-10-6-4-3-5-7-11-18/h8-9,12-13,18-19H,2-7,10-11,14-17H2,1H3,(H2,24,25,26)
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| InChIKey |
RGFLSAGNSOTBDW-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