General Information of the Compound
| Compound ID |
CP0283227
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| Compound Name |
US9546152, example 2
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| Structure |
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| Formula |
C22H23N7O3
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| Molecular Weight |
433.472
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| Canonical SMILES |
COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2nccc(C#N)c2C)c(n1)-n1nccn1
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| InChI |
InChI=1S/C22H23N7O3/c1-14-4-5-17(32-21-15(2)16(12-23)8-9-24-21)13-28(14)22(30)18-6-7-19(31-3)27-20(18)29-25-10-11-26-29/h6-11,14,17H,4-5,13H2,1-3H3/t14-,17-/m1/s1
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| InChIKey |
VBNZBEIKQYOXMG-RHSMWYFYSA-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1