General Information of the Compound
| Compound ID |
CP0494964
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| Compound Name |
[4-amino-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-1,3-thiazol-5-yl]-(2,6-dichlorophenyl)methanone
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| Structure |
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| Formula |
C22H23Cl2N5OS
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| Molecular Weight |
476.433
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| Canonical SMILES |
CN1CCN(Cc2ccc(Nc3nc(N)c(s3)C(=O)c3c(Cl)cccc3Cl)cc2)CC1
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| InChI |
InChI=1S/C22H23Cl2N5OS/c1-28-9-11-29(12-10-28)13-14-5-7-15(8-6-14)26-22-27-21(25)20(31-22)19(30)18-16(23)3-2-4-17(18)24/h2-8H,9-13,25H2,1H3,(H,26,27)
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| InChIKey |
RAFISFVOOKCYLW-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