General Information of the Compound
| Compound ID |
CP0445926
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| Compound Name |
4-(2-cyanopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)-N,N-dimethylbutanamide
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| Structure |
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| Formula |
C19H21N5O3S
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| Molecular Weight |
399.476
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| Canonical SMILES |
CN(C)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12
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| InChI |
InChI=1S/C19H21N5O3S/c1-23(2)19(25)17(9-12-24-11-4-5-14(24)13-20)22-28(26,27)18-7-3-6-16-15(18)8-10-21-16/h3-8,10-11,17,21-22H,9,12H2,1-2H3
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| InChIKey |
LTSLRKJOWXBKQE-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