General Information of the Compound
| Compound ID |
CP0473326
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| Compound Name |
US10118915, Compound 233
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| Structure |
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| Formula |
C23H29N5O2
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| Molecular Weight |
407.518
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| Canonical SMILES |
Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NC1CCOCC1
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| InChI |
InChI=1S/C23H29N5O2/c1-15-3-4-21-17(13-15)14-20(23-24-16(2)27-30-23)22(26-21)28-9-5-18(6-10-28)25-19-7-11-29-12-8-19/h3-4,13-14,18-19,25H,5-12H2,1-2H3
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| InChIKey |
JHRCZIKHMOJCKF-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