General Information of the Compound
| Compound ID |
CP0426466
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| Compound Name |
US8846929, 303
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| Formula |
C24H33N3O3
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| Molecular Weight |
411.546
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| Canonical SMILES |
CC(C)CCC(C)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O
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| InChI |
InChI=1S/C24H33N3O3/c1-15(2)11-12-16(3)26-17-7-6-8-18(26)14-19(13-17)27-21-10-5-4-9-20(21)25-22(23(27)28)24(29)30/h4-5,9-10,15-19H,6-8,11-14H2,1-3H3,(H,29,30)/t16?,17-,18+,19+
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| InChIKey |
BMMCGTZHEIYFQS-MUJWBSBOSA-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