General Information of the Compound
| Compound ID |
CP0100378
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| Compound Name |
methyl 4-[[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-4-oxobutanoate
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| Structure |
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| Formula |
C18H14ClN5O4
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| Molecular Weight |
399.794
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| Canonical SMILES |
COC(=O)CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C18H14ClN5O4/c1-27-15(26)7-6-14(25)21-18-20-12-5-4-10(19)9-11(12)17-22-16(23-24(17)18)13-3-2-8-28-13/h2-5,8-9H,6-7H2,1H3,(H,20,21,25)
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| InChIKey |
KIFABODNEJDDQW-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