General Information of the Compound
| Compound ID |
CP0967285
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| Compound Name |
rac-N-(3-(7-Fluoro-5-oxo-1-thioxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]-quinazolin-4(5H)-yl)propyl)piperidine-2-carboxamide
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| Formula |
C18H21FN6O2S
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| Molecular Weight |
404.471
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| Canonical SMILES |
O=C(NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12)C1CCCCN1
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| InChI |
InChI=1S/C18H21FN6O2S/c19-11-5-6-14-12(10-11)16(27)24(17-22-23-18(28)25(14)17)9-3-8-21-15(26)13-4-1-2-7-20-13/h5-6,10,13,20H,1-4,7-9H2,(H,21,26)(H,23,28)
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| InChIKey |
DUAGCOSGEBJCDU-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