General Information of the Compound
| Compound ID |
CP0474893
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| Compound Name |
1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-methyl-5-(4-methylsulfonylphenyl)indazole
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| Structure |
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| Formula |
C26H29N5O2S
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| Molecular Weight |
475.618
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)n1ncc2c(C)c(ccc12)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C26H29N5O2S/c1-4-19-15-27-26(28-16-19)30-13-11-21(12-14-30)31-25-10-9-23(18(2)24(25)17-29-31)20-5-7-22(8-6-20)34(3,32)33/h5-10,15-17,21H,4,11-14H2,1-3H3
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| InChIKey |
AOCLQYZZOQLZGW-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