General Information of the Compound
| Compound ID |
CP0526001
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| Compound Name |
3-[1-(2-Chloro-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 |
C18H14ClN3
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| Molecular Weight |
307.784
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| Canonical SMILES |
Clc1ccccc1\C=C1/CCn2c1nc1ccccc1c2=N
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| InChI |
InChI=1S/C18H14ClN3/c19-15-7-3-1-5-12(15)11-13-9-10-22-17(20)14-6-2-4-8-16(14)21-18(13)22/h1-8,11,20H,9-10H2/b13-11+,20-17?
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| InChIKey |
ATYIDQJDFITBDK-NOYHUVOJSA-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