General Information of the Compound
| Compound ID |
CP0425372
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| Compound Name |
MLS000393401
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| Structure |
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| Formula |
C14H19ClN2O3S
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| Molecular Weight |
330.837
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| Canonical SMILES |
ClCC(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCCC1
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| InChI |
InChI=1S/C14H19ClN2O3S/c15-11-14(18)16-12-6-5-7-13(10-12)21(19,20)17-8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11H2,(H,16,18)
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| InChIKey |
YWNGXOWLIBYOQM-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor