General Information of the Compound
| Compound ID |
CP0881140
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| Compound Name |
SID49667106
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| Structure |
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| Formula |
C16H14ClNO3S2
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| Molecular Weight |
367.879
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| Canonical SMILES |
O=C(O)CCCN1C(=O)/C(=C\C(Cl)=C\c2ccccc2)SC1=S
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| InChI |
InChI=1S/C16H14ClNO3S2/c17-12(9-11-5-2-1-3-6-11)10-13-15(21)18(16(22)23-13)8-4-7-14(19)20/h1-3,5-6,9-10H,4,7-8H2,(H,19,20)/b12-9-,13-10+
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| InChIKey |
MCHHFMHMHNSGHH-TVRQEHKRSA-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: PT06124, Paired box protein Pax-8