General Information of the Compound
| Compound ID |
CP0905584
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| Compound Name |
SID26731845
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| Structure |
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| Formula |
C21H10Cl2N4O4S
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| Molecular Weight |
485.308
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| Canonical SMILES |
O=C(Nc1nc2c(ccc3onc(-c4ccccc4[N+](=O)[O-])c32)s1)c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C21H10Cl2N4O4S/c22-10-5-6-11(13(23)9-10)20(28)25-21-24-19-16(32-21)8-7-15-17(19)18(26-31-15)12-3-1-2-4-14(12)27(29)30/h1-9H,(H,24,25,28)
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| InChIKey |
OUCHQVYPFQHKNF-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: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8