General Information of the Compound
| Compound ID |
CP0645110
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| Compound Name |
ERKi
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| Structure |
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| Formula |
C16H17N5O2
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| Molecular Weight |
311.345
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| Canonical SMILES |
C[C@@H](NC(=O)Nc1cc2[nH]ncc2c(CO)n1)c1ccccc1
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| InChI |
InChI=1S/C16H17N5O2/c1-10(11-5-3-2-4-6-11)18-16(23)20-15-7-13-12(8-17-21-13)14(9-22)19-15/h2-8,10,22H,9H2,1H3,(H,17,21)(H2,18,19,20,23)/t10-/m1/s1
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| InChIKey |
RAXZSEGXMBWYQK-SNVBAGLBSA-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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