General Information of the Compound
| Compound ID |
CP0315757
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| Compound Name |
3,4-dichloro-2-iodo-1-piperidin-3-ylpyrrolo[2,3-b]pyridine-6-carboxamide
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| Structure |
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| Formula |
C13H13Cl2IN4O
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| Molecular Weight |
439.084
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| Canonical SMILES |
NC(=O)c1cc(Cl)c2c(Cl)c(I)n(C3CCCNC3)c2n1
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| InChI |
InChI=1S/C13H13Cl2IN4O/c14-7-4-8(12(17)21)19-13-9(7)10(15)11(16)20(13)6-2-1-3-18-5-6/h4,6,18H,1-3,5H2,(H2,17,21)
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| InChIKey |
DTJDHZDARQGLCW-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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