General Information of the Compound
| Compound ID |
CP0410945
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| Compound Name |
1-[4-[6-methoxy-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]phenyl]cyclopropane-1-carbonitrile
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| Structure |
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| Formula |
C26H26N4O4S
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| Molecular Weight |
490.585
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| Canonical SMILES |
COc1ccc2ncc(C(=O)N3CCN(CC3)S(C)(=O)=O)c(-c3ccc(cc3)C3(CC3)C#N)c2c1
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| InChI |
InChI=1S/C26H26N4O4S/c1-34-20-7-8-23-21(15-20)24(18-3-5-19(6-4-18)26(17-27)9-10-26)22(16-28-23)25(31)29-11-13-30(14-12-29)35(2,32)33/h3-8,15-16H,9-14H2,1-2H3
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| InChIKey |
RUQWMJKTMUWGIU-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