General Information of the Compound
| Compound ID |
CP0557128
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| Compound Name |
1-(4-(3-(4-(3-aminopropyl)piperazin-1-yl)phenyl)-6-chloroquinazolin-2-yl)guanidine
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| Structure |
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| Formula |
C22H27ClN8
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| Molecular Weight |
438.967
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| Canonical SMILES |
NCCCN1CCN(CC1)c1cccc(c1)-c1nc(NC(N)=N)nc2ccc(Cl)cc12
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| InChI |
InChI=1S/C22H27ClN8/c23-16-5-6-19-18(14-16)20(28-22(27-19)29-21(25)26)15-3-1-4-17(13-15)31-11-9-30(10-12-31)8-2-7-24/h1,3-6,13-14H,2,7-12,24H2,(H4,25,26,27,28,29)
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| InChIKey |
YSDVRQPNBLYBPO-UHFFFAOYSA-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