General Information of the Compound
| Compound ID |
CP0533172
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| Compound Name |
tert-butyl N-[2-[2-[2-[2-[3-[3-(7-fluoro-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
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| Formula |
C28H41FN6O8S
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| Molecular Weight |
640.735
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
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| InChI |
InChI=1S/C28H41FN6O8S/c1-28(2,3)43-27(38)31-9-12-40-14-16-42-18-17-41-15-13-39-11-7-23(36)30-8-4-10-34-24(37)21-19-20(29)5-6-22(21)35-25(34)32-33-26(35)44/h5-6,19H,4,7-18H2,1-3H3,(H,30,36)(H,31,38)(H,33,44)
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| InChIKey |
BRFGJROSYKQLMG-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