General Information of the Compound
| Compound ID |
CP0051980
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| Compound Name |
1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)-3-methyl-pyrrole-2,5-dione
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| Synonyms |
2-Oxo-(2H)-furo(2,3-h)-1-benzopyran
2H-Furo(2,3-H)-1-benzopyran-2-one
2H-Furo[2,3-H]-1-benzopyran-2-one
2H-Furo[2,3-H]chromen-2-one
4-Hydroxy-5-benzofuranacrylic acid gamma-lactone
523-50-2
AS602868
Angecin
Angelecin
Angelicin
Angelicin (coumarin deriv)
Angelicin (coumarin derivative)
BRN 0153970
CCRIS 4276
CHEMBL53569
CZZ080D7BD
Furo(2,3-h)coumarin
Furo(5',4':7,8)coumarin
Furo[5',4':7,8]coumarin
HSDB 3554
ISOPSORALEN
Isopsoralen
Isopsoralin
NSC 404563
UNII-CZZ080D7BD
furo[2,3-h]chromen-2-one
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| Structure |
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| Formula |
C18H14N4O3S
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| Molecular Weight |
366.402
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| Canonical SMILES |
COc1cccc2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1
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| InChI |
InChI=1S/C18H14N4O3S/c1-10-9-14(23)22(18(10)24)21-17-15-11(5-3-6-12(15)25-2)19-16(20-17)13-7-4-8-26-13/h3-9H,1-2H3,(H,19,20,21)
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| InChIKey |
GZGLPBNOIFLLRE-UHFFFAOYSA-N
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| CAS |
219773-55-4
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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
Clinical Information about the Compound