General Information of the Compound
| Compound ID |
CP0529285
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| Compound Name |
US8846929, 313
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| Formula |
C30H42N4O4
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| Molecular Weight |
522.69
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| Canonical SMILES |
CC(C)CC(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(O)=O
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| InChI |
InChI=1S/C30H42N4O4/c1-19(2)16-25(30(37)38)32-28(35)27-29(36)34(26-13-9-8-12-24(26)31-27)23-17-21-14-15-22(18-23)33(21)20-10-6-4-3-5-7-11-20/h8-9,12-13,19-23,25H,3-7,10-11,14-18H2,1-2H3,(H,32,35)(H,37,38)/t21-,22+,23+,25?
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| InChIKey |
JONVOPNMVVYXGR-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