General Information of the Compound
| Compound ID |
CP0423281
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| Compound Name |
US10336717, Compound 217
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| Formula |
C18H22BrN3O2
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| Molecular Weight |
392.297
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| Canonical SMILES |
CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22N=C(N)N(C)C2=O)CC1
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| InChI |
InChI=1S/C18H22BrN3O2/c1-22-15(23)18(21-16(22)20)14-9-12(19)4-3-11(14)10-17(18)7-5-13(24-2)6-8-17/h3-4,9,13H,5-8,10H2,1-2H3,(H2,20,21)/t13-,17-,18?
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| InChIKey |
RVLIRWFNCYASBC-PPZOPEANSA-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