General Information of the Compound
| Compound ID |
CP0535051
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| Compound Name |
methyl 4-amino-6-(3,5-difluoro-4-iodoanilino)-1,3,5-triazine-2-carboxylate
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| Formula |
C11H8F2IN5O2
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| Molecular Weight |
407.118
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| Canonical SMILES |
COC(=O)c1nc(N)nc(Nc2cc(F)c(I)c(F)c2)n1
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| InChI |
InChI=1S/C11H8F2IN5O2/c1-21-9(20)8-17-10(15)19-11(18-8)16-4-2-5(12)7(14)6(13)3-4/h2-3H,1H3,(H3,15,16,17,18,19)
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| InChIKey |
DATILFYUDSRBBK-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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