General Information of the Compound
| Compound ID |
CP0545907
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| Compound Name |
US8846929, 284
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| Formula |
C29H41N5O3
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| Molecular Weight |
507.679
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| Canonical SMILES |
CN([C@@H]1CCN(C1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(O)=O
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| InChI |
InChI=1S/C29H41N5O3/c1-31(29(36)37)23-15-16-32(19-23)27-28(35)34(26-12-8-7-11-25(26)30-27)24-17-21-13-14-22(18-24)33(21)20-9-5-3-2-4-6-10-20/h7-8,11-12,20-24H,2-6,9-10,13-19H2,1H3,(H,36,37)/t21-,22+,23-,24+/m1/s1
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| InChIKey |
FXKALKNRYIIAAQ-QPXUXIHVSA-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