General Information of the Compound
| Compound ID |
CP0526569
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| Compound Name |
8-(2-amino-thiazol-4-yl)-1,2,3,11-tetrahydro-5,11-diaza-benzo[a]trindene-4,6-dione
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| Structure |
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| Formula |
C20H14N4O2S
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| Molecular Weight |
374.425
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| Canonical SMILES |
Nc1nc(cs1)-c1ccc2[nH]c3c4CCCc4c4C(=O)NC(=O)c4c3c2c1
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| InChI |
InChI=1S/C20H14N4O2S/c21-20-23-13(7-27-20)8-4-5-12-11(6-8)14-16-15(18(25)24-19(16)26)9-2-1-3-10(9)17(14)22-12/h4-7,22H,1-3H2,(H2,21,23)(H,24,25,26)
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| InChIKey |
PSXNFNPGJHVFNL-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