General Information of the Compound
| Compound ID |
CP0565029
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| Compound Name |
tert-butyl N-[4-[3-(7-fluoro-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propylcarbamoyl]cyclohexyl]carbamate
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| Formula |
C24H31FN6O4S
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| Molecular Weight |
518.615
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| Canonical SMILES |
CC(C)(C)OC(=O)NC1CCC(CC1)C(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
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| InChI |
InChI=1S/C24H31FN6O4S/c1-24(2,3)35-23(34)27-16-8-5-14(6-9-16)19(32)26-11-4-12-30-20(33)17-13-15(25)7-10-18(17)31-21(30)28-29-22(31)36/h7,10,13-14,16H,4-6,8-9,11-12H2,1-3H3,(H,26,32)(H,27,34)(H,29,36)
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| InChIKey |
HSQIWIFWKHJOJB-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