General Information of the Compound
| Compound ID |
CP0314472
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| Compound Name |
3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)aniline
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| Structure |
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| Formula |
C19H18Cl2N4
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| Molecular Weight |
373.287
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| Canonical SMILES |
Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(N)cc1Cl
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| InChI |
InChI=1S/C19H18Cl2N4/c1-25-17(15-8-7-14(22)11-16(15)21)23-24-18(25)19(9-2-10-19)12-3-5-13(20)6-4-12/h3-8,11H,2,9-10,22H2,1H3
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| InChIKey |
DQXJSPWIZXASJC-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