General Information of the Compound
| Compound ID |
CP0893264
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| Compound Name |
N-[4-({2-[(E)-2-(4-Chlorophenyl)ethenyl]-6-methylquinazolin-4-yl}amino)butyl]guanidine dihydrochloride
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| Structure |
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| Formula |
C22H28Cl4N6
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| Molecular Weight |
518.32
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| Canonical SMILES |
Cc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(NCCCCNC(=N)N)c2c1.Cl.Cl.Cl
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| InChI |
InChI=1S/C22H25ClN6.3ClH/c1-15-4-10-19-18(14-15)21(26-12-2-3-13-27-22(24)25)29-20(28-19)11-7-16-5-8-17(23)9-6-16;;;/h4-11,14H,2-3,12-13H2,1H3,(H4,24,25,27)(H,26,28,29);3*1H/b11-7+;;;
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| InChIKey |
GDGKKOJKGNZLPN-DLEJXUKQSA-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