General Information of the Compound
| Compound ID |
CP0862612
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| Compound Name |
2-[5-(2,8-Dimethyl-5H-dibenzo[a,d]cyclohepten-5-yl)-2-oxo-4-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl]-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C26H21N3O3S2
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| Molecular Weight |
487.606
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| Canonical SMILES |
Cc1ccc2c(c1)C=Cc1cc(C)ccc1C2c1cn(Cc2nc(C(=O)O)cs2)c(=O)[nH]c1=S
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| InChI |
InChI=1S/C26H21N3O3S2/c1-14-3-7-18-16(9-14)5-6-17-10-15(2)4-8-19(17)23(18)20-11-29(26(32)28-24(20)33)12-22-27-21(13-34-22)25(30)31/h3-11,13,23H,12H2,1-2H3,(H,30,31)(H,28,32,33)
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| InChIKey |
VPNLIXJVKIXRTN-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