General Information of the Compound
| Compound ID |
CP0423485
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| Compound Name |
EMICERFONT
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| Synonyms |
GW-876008
GW876008
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| Structure |
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| Formula |
C22H24N6O2
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| Molecular Weight |
404.474
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| Canonical SMILES |
COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCNC2=O)c(C)c1
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| InChI |
InChI=1S/C22H24N6O2/c1-14-12-16(30-3)4-5-18(14)26-9-6-17-19(13-15(2)24-21(17)26)28-10-7-20(25-28)27-11-8-23-22(27)29/h4-5,7,10,12-13H,6,8-9,11H2,1-3H3,(H,23,29)
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| InChIKey |
JFHJGXQFESYQGY-UHFFFAOYSA-N
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| CAS |
786701-13-1
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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
Clinical Information about the Compound