General Information of the Compound
| Compound ID |
CP0531228
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| Compound Name |
4-oxo-N-[2-propanoyl-5-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]phenyl]chromene-2-carboxamide
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| Formula |
C27H27N5O4
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| Molecular Weight |
485.544
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| Canonical SMILES |
CCC(=O)c1ccc(cc1NC(=O)c1cc(=O)c2ccccc2o1)-c1cn(CCN2CCCC2)nn1
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| InChI |
InChI=1S/C27H27N5O4/c1-2-23(33)19-10-9-18(22-17-32(30-29-22)14-13-31-11-5-6-12-31)15-21(19)28-27(35)26-16-24(34)20-7-3-4-8-25(20)36-26/h3-4,7-10,15-17H,2,5-6,11-14H2,1H3,(H,28,35)
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| InChIKey |
UNDSYDDXDCLFIQ-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