General Information of the Compound
| Compound ID |
CP0529186
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| Compound Name |
US10336717, Compound 112
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| Structure |
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| Formula |
C25H27N3O2
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| Molecular Weight |
401.51
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#Cc2ccccc2)CC1
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| InChI |
InChI=1S/C25H27N3O2/c1-28-23(26)27-25(30-28)22-16-19(9-8-18-6-4-3-5-7-18)10-11-20(22)17-24(25)14-12-21(29-2)13-15-24/h3-7,10-11,16,21H,12-15,17H2,1-2H3,(H2,26,27)
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| InChIKey |
JKPLSWCUGWTDRH-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