General Information of the Compound
| Compound ID |
CP0498529
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| Compound Name |
5-chloro-N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-1H-indazol-3-amine
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| Structure |
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| Formula |
C21H25ClN4
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| Molecular Weight |
368.912
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| Canonical SMILES |
Cc1ccc(CN2CCC(CC2)Nc2[nH]nc3ccc(Cl)cc23)cc1C
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| InChI |
InChI=1S/C21H25ClN4/c1-14-3-4-16(11-15(14)2)13-26-9-7-18(8-10-26)23-21-19-12-17(22)5-6-20(19)24-25-21/h3-6,11-12,18H,7-10,13H2,1-2H3,(H2,23,24,25)
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| InChIKey |
QECDJUCOUBGHIU-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