General Information of the Compound
| Compound ID |
CP0577953
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| Compound Name |
3,5-dimethoxy-N-[5-(4-methylpiperazin-1-yl)-4-pyridin-3-yl-1,3-thiazol-2-yl]benzamide
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| Structure |
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| Formula |
C22H25N5O3S
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| Molecular Weight |
439.541
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| Canonical SMILES |
COc1cc(OC)cc(c1)C(=O)Nc1nc(c(s1)N1CCN(C)CC1)-c1cccnc1
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| InChI |
InChI=1S/C22H25N5O3S/c1-26-7-9-27(10-8-26)21-19(15-5-4-6-23-14-15)24-22(31-21)25-20(28)16-11-17(29-2)13-18(12-16)30-3/h4-6,11-14H,7-10H2,1-3H3,(H,24,25,28)
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| InChIKey |
CLUNQXQZCLQBSZ-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