General Information of the Compound
| Compound ID |
CP0487164
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| Compound Name |
3-[1-(2,4-Dichloro-phenyl)-meth-(E)-ylidene]-1,2,3,9-tetrahydro-pyrrolo[2,1-b]quinazoline
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| Structure |
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| Formula |
C18H14Cl2N2
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| Molecular Weight |
329.23
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| Canonical SMILES |
Clc1ccc(\C=C2/CCN3Cc4ccccc4N=C23)c(Cl)c1
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| InChI |
InChI=1S/C18H14Cl2N2/c19-15-6-5-12(16(20)10-15)9-13-7-8-22-11-14-3-1-2-4-17(14)21-18(13)22/h1-6,9-10H,7-8,11H2/b13-9+
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| InChIKey |
URMKVDLYXNAKAF-UKTHLTGXSA-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