General Information of the Compound
| Compound ID |
CP0329227
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| Compound Name |
US10336717, Compound 30
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| Structure |
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| Formula |
C21H22ClN3O
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| Molecular Weight |
367.88
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| Canonical SMILES |
CN1OC2(N=C1N)c1cc(Cl)ccc1CC21CCc2ccccc2CC1
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| InChI |
InChI=1S/C21H22ClN3O/c1-25-19(23)24-21(26-25)18-12-17(22)7-6-16(18)13-20(21)10-8-14-4-2-3-5-15(14)9-11-20/h2-7,12H,8-11,13H2,1H3,(H2,23,24)
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| InChIKey |
QUQKATHRDQFVIH-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