General Information of the Compound
| Compound ID |
CP0030204
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| Compound Name |
N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazol-5-amine
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| Structure |
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| Formula |
C19H18FN5O2S
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| Molecular Weight |
399.451
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| Canonical SMILES |
Cn1cc(cn1)-c1n[nH]c2ccc(NCc3cc(F)ccc3S(C)(=O)=O)cc12
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| InChI |
InChI=1S/C19H18FN5O2S/c1-25-11-13(10-22-25)19-16-8-15(4-5-17(16)23-24-19)21-9-12-7-14(20)3-6-18(12)28(2,26)27/h3-8,10-11,21H,9H2,1-2H3,(H,23,24)
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| InChIKey |
VXKMMMZVPVHQBU-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