General Information of the Compound
| Compound ID |
CP0459481
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| Compound Name |
CHEMBL3990213
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| Formula |
C24H35N3O3
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| Molecular Weight |
413.562
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| Canonical SMILES |
NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCC1)C(=O)CO
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| InChI |
InChI=1S/C24H35N3O3/c25-24(30)19-7-3-6-18(12-19)20-13-21-8-9-22(14-20)27(21)11-10-26(23(29)16-28)15-17-4-1-2-5-17/h3,6-7,12,17,20-22,28H,1-2,4-5,8-11,13-16H2,(H2,25,30)/t20-,21+,22-
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| InChIKey |
LBSVQPOXQQAHDE-KOUNCHBCSA-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: PT01188, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor