General Information of the Compound
| Compound ID |
CP0134853
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| Compound Name |
2-(4-tert-butylanilino)-1,3-benzoxazole-6-carbonitrile
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| Structure |
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| Formula |
C18H17N3O
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| Molecular Weight |
291.354
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| Canonical SMILES |
CC(C)(C)c1ccc(Nc2nc3ccc(cc3o2)C#N)cc1
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| InChI |
InChI=1S/C18H17N3O/c1-18(2,3)13-5-7-14(8-6-13)20-17-21-15-9-4-12(11-19)10-16(15)22-17/h4-10H,1-3H3,(H,20,21)
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| InChIKey |
RNEAYAHGULAXBV-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