General Information of the Compound
| Compound ID |
CP0385571
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| Compound Name |
US8754233, 5-Methyl-4-[6-(4-methyl-piperazin-1-ylmethyl)-benzothiazol-2-yl]-2H-pyrazol-3-ylamine
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| Structure |
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| Formula |
C17H22N6S
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| Molecular Weight |
342.472
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| Canonical SMILES |
CN1CCN(Cc2ccc3nc(sc3c2)-c2c(C)[nH]nc2N)CC1
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| InChI |
InChI=1S/C17H22N6S/c1-11-15(16(18)21-20-11)17-19-13-4-3-12(9-14(13)24-17)10-23-7-5-22(2)6-8-23/h3-4,9H,5-8,10H2,1-2H3,(H3,18,20,21)
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| InChIKey |
MKFQXGRHDIGICT-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