General Information of the Compound
| Compound ID |
CP0399425
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| Compound Name |
US8846929, 306
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| Formula |
C29H38N4O4
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| Molecular Weight |
506.647
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| Canonical SMILES |
OC(=O)C1CCCN1C(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C29H38N4O4/c34-27(31-16-8-13-25(31)29(36)37)26-28(35)33(24-12-7-6-11-23(24)30-26)22-17-20-14-15-21(18-22)32(20)19-9-4-2-1-3-5-10-19/h6-7,11-12,19-22,25H,1-5,8-10,13-18H2,(H,36,37)/t20-,21+,22+,25?
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| InChIKey |
OXJHPRBGUIURHY-FXZLEELESA-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