General Information of the Compound
| Compound ID |
CP0510257
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| Compound Name |
US8846929, 363
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| Formula |
C27H33N3O3
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| Molecular Weight |
447.579
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| Canonical SMILES |
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2C3CC4CC(C3)CC2C4)c1=O
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| InChI |
InChI=1S/C27H33N3O3/c31-26-24(27(32)33)28-22-6-1-2-7-23(22)30(26)21-13-19-4-3-5-20(14-21)29(19)25-17-9-15-8-16(11-17)12-18(25)10-15/h1-2,6-7,15-21,25H,3-5,8-14H2,(H,32,33)/t15?,16?,17?,18?,19-,20+,21+,25?
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| InChIKey |
BMNKMCWDTISXIT-YYPACGCWSA-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