General Information of the Compound
| Compound ID |
CP0698368
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| Compound Name |
SID49817141
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| Structure |
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| Formula |
C23H25N3O4S
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| Molecular Weight |
439.537
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| Canonical SMILES |
CCN1CCN(C2=C(NS(=O)(=O)c3ccc(C)cc3)C(=O)c3ccccc3C2=O)CC1
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| InChI |
InChI=1S/C23H25N3O4S/c1-3-25-12-14-26(15-13-25)21-20(22(27)18-6-4-5-7-19(18)23(21)28)24-31(29,30)17-10-8-16(2)9-11-17/h4-11,24H,3,12-15H2,1-2H3
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| InChIKey |
CTTGJLPYZZTLOJ-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