General Information of the Compound
| Compound ID |
CP0519156
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| Compound Name |
US8846929, 90
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| Formula |
C25H35N5O2
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| Molecular Weight |
437.588
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| Canonical SMILES |
NC(=O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C25H35N5O2/c26-23(31)16-27-24-25(32)30(22-11-7-6-10-21(22)28-24)20-14-18-12-13-19(15-20)29(18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-20H,1-5,8-9,12-16H2,(H2,26,31)(H,27,28)/t18-,19+,20+
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| InChIKey |
GHEQLKJFAKKFQS-PMOLBWCYSA-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