General Information of the Compound
| Compound ID |
CP0903674
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| Compound Name |
5-((3-((2-aminopyrimidin-5-yl)methyl)-6-bromo-7-fluoro-1H-indol-5-yl)methylene)-3-methylthiazolidine-2,4-dione
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| Formula |
C18H13BrFN5O2S
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| Molecular Weight |
462.304
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| Canonical SMILES |
CN1C(=O)S/C(=C\c2cc3c(Cc4cnc(N)nc4)c[nH]c3c(F)c2Br)C1=O
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| InChI |
InChI=1S/C18H13BrFN5O2S/c1-25-16(26)12(28-18(25)27)4-9-3-11-10(2-8-5-23-17(21)24-6-8)7-22-15(11)14(20)13(9)19/h3-7,22H,2H2,1H3,(H2,21,23,24)/b12-4-
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| InChIKey |
LWKBNABGMLBAAR-QCDXTXTGSA-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