General Information of the Compound
| Compound ID |
CP0380045
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| Compound Name |
prop-2-enyl N-[3-(8-formyl-7-hydroxy-2-oxochromen-4-yl)propyl]carbamate
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| Structure |
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| Formula |
C17H17NO6
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| Molecular Weight |
331.324
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| Canonical SMILES |
Oc1ccc2c(CCCNC(=O)OCC=C)cc(=O)oc2c1C=O
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| InChI |
InChI=1S/C17H17NO6/c1-2-8-23-17(22)18-7-3-4-11-9-15(21)24-16-12(11)5-6-14(20)13(16)10-19/h2,5-6,9-10,20H,1,3-4,7-8H2,(H,18,22)
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| InChIKey |
KQVNKJFKBRITEO-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