General Information of the Compound
| Compound ID |
CP0417247
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| Compound Name |
US8846929, 194
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| Formula |
C31H43N5O4
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| Molecular Weight |
549.716
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| Canonical SMILES |
CC(=O)NC1(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/C31H43N5O4/c1-21(37)33-31(30(39)40)15-17-34(18-16-31)28-29(38)36(27-12-8-7-11-26(27)32-28)25-19-23-13-14-24(20-25)35(23)22-9-5-3-2-4-6-10-22/h7-8,11-12,22-25H,2-6,9-10,13-20H2,1H3,(H,33,37)(H,39,40)/t23-,24+,25+
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| InChIKey |
BOMZODQKZSEKES-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