General Information of the Compound
| Compound ID |
CP0563302
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| Compound Name |
2-(4-chloro-2-methylanilino)-N-[(E)-naphthalen-1-ylmethylideneamino]butanamide
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| Structure |
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| Formula |
C22H22ClN3O
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| Molecular Weight |
379.891
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| Canonical SMILES |
CCC(Nc1ccc(Cl)cc1C)C(=O)N\N=C\c1cccc2ccccc12
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| InChI |
InChI=1S/C22H22ClN3O/c1-3-20(25-21-12-11-18(23)13-15(21)2)22(27)26-24-14-17-9-6-8-16-7-4-5-10-19(16)17/h4-14,20,25H,3H2,1-2H3,(H,26,27)/b24-14+
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| InChIKey |
CHTWMSGQUPGJEJ-ZVHZXABRSA-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