General Information of the Compound
| Compound ID |
CP0522481
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| Compound Name |
3-[1-(2-Chloro-phenyl)-meth-(E)-ylidene]-1,2,3,9-tetrahydro-pyrrolo[2,1-b]quinazoline
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| Structure |
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| Formula |
C18H15ClN2
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| Molecular Weight |
294.785
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| Canonical SMILES |
Clc1ccccc1\C=C1/CCN2Cc3ccccc3N=C12
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| InChI |
InChI=1S/C18H15ClN2/c19-16-7-3-1-5-13(16)11-14-9-10-21-12-15-6-2-4-8-17(15)20-18(14)21/h1-8,11H,9-10,12H2/b14-11+
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| InChIKey |
WWRCUWKJSTWNFG-SDNWHVSQSA-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