General Information of the Compound
| Compound ID |
CP0407901
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| Compound Name |
N-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-5-chloro-1H-indazol-3-amine
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| Structure |
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| Formula |
C19H19ClN6S
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| Molecular Weight |
398.923
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| Canonical SMILES |
Clc1ccc2[nH]nc(NC3CCN(Cc4ccc5nsnc5c4)CC3)c2c1
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| InChI |
InChI=1S/C19H19ClN6S/c20-13-2-4-16-15(10-13)19(23-22-16)21-14-5-7-26(8-6-14)11-12-1-3-17-18(9-12)25-27-24-17/h1-4,9-10,14H,5-8,11H2,(H2,21,22,23)
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| InChIKey |
UHFIBCWVGOXCKG-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