General Information of the Compound
| Compound ID |
CP0442496
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| Compound Name |
US10336717, Compound 226
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| Structure |
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| Formula |
C20H24BrN3O2
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| Molecular Weight |
418.335
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| Canonical SMILES |
COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)N(C3CC3)C2=O)CC1
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| InChI |
InChI=1S/C20H24BrN3O2/c1-26-15-6-8-19(9-7-15)11-12-2-3-13(21)10-16(12)20(19)17(25)24(14-4-5-14)18(22)23-20/h2-3,10,14-15H,4-9,11H2,1H3,(H2,22,23)
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| InChIKey |
CWNRSMLGEZOCEI-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