General Information of the Compound
| Compound ID |
CP0464045
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| Compound Name |
US8846929, 191
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| Formula |
C27H37N5O4
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| Molecular Weight |
495.624
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| Canonical SMILES |
OC(=O)CNC(=O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C27H37N5O4/c33-24(28-17-25(34)35)16-29-26-27(36)32(23-11-7-6-10-22(23)30-26)21-14-19-12-13-20(15-21)31(19)18-8-4-2-1-3-5-9-18/h6-7,10-11,18-21H,1-5,8-9,12-17H2,(H,28,33)(H,29,30)(H,34,35)/t19-,20+,21+
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| InChIKey |
XMSPEQOISNBWCO-AERCQKQUSA-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