General Information of the Compound
| Compound ID |
CP0443720
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| Compound Name |
US8846929, 366
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| Formula |
C22H29N3O3
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| Molecular Weight |
383.492
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| Canonical SMILES |
CC(C)CC(C)N1[C@H]2CC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O
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| InChI |
InChI=1S/C22H29N3O3/c1-13(2)10-14(3)24-15-8-9-16(24)12-17(11-15)25-19-7-5-4-6-18(19)23-20(21(25)26)22(27)28/h4-7,13-17H,8-12H2,1-3H3,(H,27,28)/t14?,15-,16+,17+
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| InChIKey |
QLXROTDKDWWUHN-XIRIYYJZSA-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