General Information of the Compound
| Compound ID |
CP0967204
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| Compound Name |
3-(4-(3-(6-chloro-2-(diaminomethyleneamino)quinazolin-4-yl)phenyl)piperazin-1-yl)propanoic acid
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| Structure |
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| Formula |
C22H24ClN7O2
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| Molecular Weight |
453.934
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| Canonical SMILES |
NC(N)=Nc1nc(-c2cccc(N3CCN(CCC(=O)O)CC3)c2)c2cc(Cl)ccc2n1
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| InChI |
InChI=1S/C22H24ClN7O2/c23-15-4-5-18-17(13-15)20(27-22(26-18)28-21(24)25)14-2-1-3-16(12-14)30-10-8-29(9-11-30)7-6-19(31)32/h1-5,12-13H,6-11H2,(H,31,32)(H4,24,25,26,27,28)
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| InChIKey |
NRSNGUCMWIUYAN-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