General Information of the Compound
| Compound ID |
CP0538426
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| Compound Name |
US8754233, 5-Methyl-4-(6-pyrrolidin-1-ylmethyl-benzothiazol-2-yl)-2H-pyrazol-3-ylamine
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| Structure |
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| Formula |
C16H19N5S
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| Molecular Weight |
313.43
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| Canonical SMILES |
Cc1[nH]nc(N)c1-c1nc2ccc(CN3CCCC3)cc2s1
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| InChI |
InChI=1S/C16H19N5S/c1-10-14(15(17)20-19-10)16-18-12-5-4-11(8-13(12)22-16)9-21-6-2-3-7-21/h4-5,8H,2-3,6-7,9H2,1H3,(H3,17,19,20)
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| InChIKey |
HUKMBIBKVQGNFM-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