General Information of the Compound
| Compound ID |
CP0522664
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| Compound Name |
4-{[(3,5-dichloro-4-hydroxyphenyl)methyl](4H-1,2,4-triazol-4-yl)amino}benzonitrile
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| Structure |
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| Formula |
C16H11Cl2N5O
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| Molecular Weight |
360.204
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| Canonical SMILES |
Oc1c(Cl)cc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Cl
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| InChI |
InChI=1S/C16H11Cl2N5O/c17-14-5-12(6-15(18)16(14)24)8-23(22-9-20-21-10-22)13-3-1-11(7-19)2-4-13/h1-6,9-10,24H,8H2
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| InChIKey |
DLHBUZTWFBDDJT-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