General Information of the Compound
| Compound ID |
CP0529222
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| Compound Name |
US10011588, Example 20
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| Structure |
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| Formula |
C20H18F3N5O2
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| Molecular Weight |
417.391
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| Canonical SMILES |
FC(F)(F)c1ccnc(O[C@H]2CCC[C@@H]2NC(=O)c2ccccc2-n2nccn2)c1
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| InChI |
InChI=1S/C20H18F3N5O2/c21-20(22,23)13-8-9-24-18(12-13)30-17-7-3-5-15(17)27-19(29)14-4-1-2-6-16(14)28-25-10-11-26-28/h1-2,4,6,8-12,15,17H,3,5,7H2,(H,27,29)/t15-,17-/m0/s1
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| InChIKey |
YRZWMQRXCSOHEI-RDJZCZTQSA-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