General Information of the Compound
| Compound ID |
CP0090416
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| Compound Name |
5-bromo-6-[2-(4-cyanoanilino)pyrimidin-4-yl]oxynaphthalene-2-carbonitrile
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| Structure |
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| Formula |
C22H12BrN5O
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| Molecular Weight |
442.276
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| Canonical SMILES |
Brc1c(Oc2ccnc(Nc3ccc(cc3)C#N)n2)ccc2cc(ccc12)C#N
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| InChI |
InChI=1S/C22H12BrN5O/c23-21-18-7-3-15(13-25)11-16(18)4-8-19(21)29-20-9-10-26-22(28-20)27-17-5-1-14(12-24)2-6-17/h1-11H,(H,26,27,28)
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| InChIKey |
QOLVFPQAJYOMNF-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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