General Information of the Compound
| Compound ID |
CP0431910
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| Compound Name |
N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
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| Structure |
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| Formula |
C16H21N5OS
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| Molecular Weight |
331.445
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| Canonical SMILES |
CC(C)C(=O)Nc1nc(CCc2ccc(cc2)N=C(N)N)cs1
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| InChI |
InChI=1S/C16H21N5OS/c1-10(2)14(22)21-16-20-13(9-23-16)8-5-11-3-6-12(7-4-11)19-15(17)18/h3-4,6-7,9-10H,5,8H2,1-2H3,(H4,17,18,19)(H,20,21,22)
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| InChIKey |
VIEPSOCNLYRSPX-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound