General Information of the Compound
| Compound ID |
CP0503751
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| Compound Name |
US8846929, 328
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| Formula |
C31H45N5O3
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| Molecular Weight |
535.733
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| Canonical SMILES |
CN(C)C1(CCN(CC1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(O)=O
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| InChI |
InChI=1S/C31H45N5O3/c1-33(2)31(30(38)39)16-18-34(19-17-31)28-29(37)36(27-13-9-8-12-26(27)32-28)25-20-23-14-15-24(21-25)35(23)22-10-6-4-3-5-7-11-22/h8-9,12-13,22-25H,3-7,10-11,14-21H2,1-2H3,(H,38,39)/t23-,24+,25+
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| InChIKey |
FXXLKSZLFQWQCE-LNWKWYTESA-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