General Information of the Compound
| Compound ID |
CP0315758
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| Compound Name |
3,4-dichloro-2-(2-cyclopropylethynyl)-1-piperidin-3-ylpyrrolo[2,3-b]pyridine-6-carboxamide
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| Structure |
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| Formula |
C18H18Cl2N4O
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| Molecular Weight |
377.275
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| Canonical SMILES |
NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CC3)n(C3CCCNC3)c2n1
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| InChI |
InChI=1S/C18H18Cl2N4O/c19-12-8-13(17(21)25)23-18-15(12)16(20)14(6-5-10-3-4-10)24(18)11-2-1-7-22-9-11/h8,10-11,22H,1-4,7,9H2,(H2,21,25)
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| InChIKey |
MPFTYTXJRHGYBP-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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