General Information of the Compound
| Compound ID |
CP0509706
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| Compound Name |
3-chloro-4-[(E)-2,9-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-ylidenemethyl]-N,N-dimethylaniline
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| Structure |
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| Formula |
C20H20ClN3
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| Molecular Weight |
337.854
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| Canonical SMILES |
CN(C)c1ccc(\C=C2/CCN3Cc4ccccc4N=C23)c(Cl)c1
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| InChI |
InChI=1S/C20H20ClN3/c1-23(2)17-8-7-14(18(21)12-17)11-15-9-10-24-13-16-5-3-4-6-19(16)22-20(15)24/h3-8,11-12H,9-10,13H2,1-2H3/b15-11+
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| InChIKey |
FWMALHBOBWIGQN-RVDMUPIBSA-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