General Information of the Compound
| Compound ID |
CP0903202
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| Compound Name |
US8846929, 351
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| Formula |
C30H38N6O4
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| Molecular Weight |
546.672
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| Canonical SMILES |
O=C(NC(Cc1c[nH]cn1)C(=O)O)c1nc2ccccc2n([C@H]2C[C@H]3CC[C@@H](C2)N3C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C30H38N6O4/c37-28(34-25(30(39)40)14-19-17-31-18-32-19)27-29(38)36(26-11-7-6-10-24(26)33-27)23-15-21-12-13-22(16-23)35(21)20-8-4-2-1-3-5-9-20/h6-7,10-11,17-18,20-23,25H,1-5,8-9,12-16H2,(H,31,32)(H,34,37)(H,39,40)/t21-,22+,23+,25?
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| InChIKey |
UABZPISCAICSOU-KTJHOKPASA-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