General Information of the Compound
| Compound ID |
CP0522591
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| Compound Name |
4-amino-3,5-dichloro-N-[4-(2-cyanopyrrol-1-yl)-1-oxo-1-piperidin-1-ylbutan-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C20H23Cl2N5O3S
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| Molecular Weight |
484.409
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| Canonical SMILES |
Nc1c(Cl)cc(cc1Cl)S(=O)(=O)NC(CCn1cccc1C#N)C(=O)N1CCCCC1
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| InChI |
InChI=1S/C20H23Cl2N5O3S/c21-16-11-15(12-17(22)19(16)24)31(29,30)25-18(20(28)27-7-2-1-3-8-27)6-10-26-9-4-5-14(26)13-23/h4-5,9,11-12,18,25H,1-3,6-8,10,24H2
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| InChIKey |
JIUOHGCUXWYFIO-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