General Information of the Compound
| Compound ID |
CP0450858
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| Compound Name |
10-(2,4-dichlorophenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
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| Structure |
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| Formula |
C21H24Cl2N4
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| Molecular Weight |
403.357
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| Canonical SMILES |
CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C21H24Cl2N4/c1-4-14(5-2)24-20-16-7-6-8-18(16)25-21-19(12(3)26-27(20)21)15-10-9-13(22)11-17(15)23/h9-11,14,24H,4-8H2,1-3H3
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| InChIKey |
QGDKVBACZDAUJO-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