General Information of the Compound
| Compound ID |
CP0545295
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| Compound Name |
[4-amino-2-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazol-5-yl]-(3-chloropyridin-2-yl)methanone
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| Structure |
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| Formula |
C20H21ClN6OS
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| Molecular Weight |
428.949
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ncccc2Cl)cc1
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| InChI |
InChI=1S/C20H21ClN6OS/c1-26-9-11-27(12-10-26)14-6-4-13(5-7-14)24-20-25-19(22)18(29-20)17(28)16-15(21)3-2-8-23-16/h2-8H,9-12,22H2,1H3,(H,24,25)
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| InChIKey |
LWCRIIOBDJWMPP-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