General Information of the Compound
| Compound ID |
CP0426905
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| Compound Name |
8-(2-isoxazol-5-yl-thiazol-4-yl)-1,2,3,11-tetrahydro-5,11-diaza-benzo[]trindene-4,6-dione
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| Structure |
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| Formula |
C23H14N4O3S
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| Molecular Weight |
426.457
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| Canonical SMILES |
O=C1NC(=O)c2c1c1CCCc1c1[nH]c3ccc(cc3c21)-c1csc(n1)-c1ccno1
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| InChI |
InChI=1S/C23H14N4O3S/c28-21-18-11-2-1-3-12(11)20-17(19(18)22(29)27-21)13-8-10(4-5-14(13)25-20)15-9-31-23(26-15)16-6-7-24-30-16/h4-9,25H,1-3H2,(H,27,28,29)
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| InChIKey |
MUPYJWFHURBOHO-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