General Information of the Compound
| Compound ID |
CP0491120
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| Compound Name |
US8846929, 364
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| Formula |
C27H35N3O3
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| Molecular Weight |
449.595
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| Canonical SMILES |
CC1(C)[C@@H]2C[C@H]1[C@H](CCN1[C@H]3CC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(C(O)=O)c1=O)CC2
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| InChI |
InChI=1S/C27H35N3O3/c1-27(2)17-8-7-16(21(27)13-17)11-12-29-18-9-10-19(29)15-20(14-18)30-23-6-4-3-5-22(23)28-24(25(30)31)26(32)33/h3-6,16-21H,7-15H2,1-2H3,(H,32,33)/t16-,17-,18-,19+,20+,21-/m0/s1
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| InChIKey |
DCGGQOLZOORPEF-XAYQJVIWSA-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