General Information of the Compound
| Compound ID |
CP0406577
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| Compound Name |
3-[1-(2-Ethyl-phenyl)-meth-(E)-ylidene]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-(9Z)-ylideneamine
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| Structure |
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| Formula |
C20H19N3
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| Molecular Weight |
301.393
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| Canonical SMILES |
CCc1ccccc1\C=C1/CCn2c1nc1ccccc1c2=N
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| InChI |
InChI=1S/C20H19N3/c1-2-14-7-3-4-8-15(14)13-16-11-12-23-19(21)17-9-5-6-10-18(17)22-20(16)23/h3-10,13,21H,2,11-12H2,1H3/b16-13+,21-19?
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| InChIKey |
WQRRZRHFOZGARK-AYSAZBKXSA-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