General Information of the Compound
| Compound ID |
CP0534624
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| Compound Name |
2-amino-4,6-dichloro-N-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C21H25Cl2N5O3S
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| Molecular Weight |
498.436
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| Canonical SMILES |
CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
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| InChI |
InChI=1S/C21H25Cl2N5O3S/c1-14-4-8-28(9-5-14)21(29)19(6-10-27-7-2-3-16(27)13-24)26-32(30,31)20-17(23)11-15(22)12-18(20)25/h2-3,7,11-12,14,19,26H,4-6,8-10,25H2,1H3
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| InChIKey |
ACGUCMXPWIANLN-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