General Information of the Compound
| Compound ID |
CP0462550
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| Compound Name |
2,2-dimethyl-propionic acid 4-(4,6-dioxo-2,3,4,5,6,11-hexahydro-1H-5,11-diaza-benzo[a]trinden-8-yl)-thiazol-2-ylmethyl ester
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| Structure |
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| Formula |
C26H23N3O4S
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| Molecular Weight |
473.554
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| Canonical SMILES |
CC(C)(C)C(=O)OCc1nc(cs1)-c1ccc2[nH]c3c4CCCc4c4C(=O)NC(=O)c4c3c2c1
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| InChI |
InChI=1S/C26H23N3O4S/c1-26(2,3)25(32)33-10-18-27-17(11-34-18)12-7-8-16-15(9-12)19-21-20(23(30)29-24(21)31)13-5-4-6-14(13)22(19)28-16/h7-9,11,28H,4-6,10H2,1-3H3,(H,29,30,31)
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| InChIKey |
CVPSVBFSEFEFEY-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