General Information of the Compound
| Compound ID |
CP0575653
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| Compound Name |
[4-[[4-amino-5-(2,6-dichlorobenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C22H21Cl2N5O2S
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| Molecular Weight |
490.416
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)cc1
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| InChI |
InChI=1S/C22H21Cl2N5O2S/c1-28-9-11-29(12-10-28)21(31)13-5-7-14(8-6-13)26-22-27-20(25)19(32-22)18(30)17-15(23)3-2-4-16(17)24/h2-8H,9-12,25H2,1H3,(H,26,27)
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| InChIKey |
DQMDXHWHDMGPCC-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