General Information of the Compound
| Compound ID |
CP0399072
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| Compound Name |
US8846929, 240
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| Formula |
C27H37N3O3
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| Molecular Weight |
451.611
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| Canonical SMILES |
CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C27H37N3O3/c1-2-33-27(32)25-26(31)30(24-16-9-8-15-23(24)28-25)22-17-20-13-10-14-21(18-22)29(20)19-11-6-4-3-5-7-12-19/h8-9,15-16,19-22H,2-7,10-14,17-18H2,1H3/t20-,21+,22+
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| InChIKey |
SUDSJJFWBIZDNK-ZBYYUNFXSA-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