General Information of the Compound
| Compound ID |
CP0472606
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| Compound Name |
US8623863, 3-4
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| Structure |
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| Formula |
C24H26FN3O3
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| Molecular Weight |
423.488
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| Canonical SMILES |
CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncco1
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| InChI |
InChI=1S/C24H26FN3O3/c1-16-6-8-20(23-26-10-11-30-23)21(12-16)24(29)28-14-18(5-3-4-17(28)2)15-31-22-9-7-19(25)13-27-22/h6-13,17-18H,3-5,14-15H2,1-2H3
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| InChIKey |
HFZAUIBSVWMNMS-UHFFFAOYSA-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: PT03559, Orexin/Hypocretin receptor type 1