General Information of the Compound
| Compound ID |
CP0468426
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| Compound Name |
4-(4-(6-chloro-2-(diaminomethyleneamino)quinazolin-4-yl)phenyl)piperazine-1-carboximidamide
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| Structure |
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| Formula |
C20H22ClN9
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| Molecular Weight |
423.912
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| Canonical SMILES |
NC(N)=Nc1nc(-c2ccc(cc2)N2CCN(CC2)C(N)=N)c2cc(Cl)ccc2n1
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| InChI |
InChI=1S/C20H22ClN9/c21-13-3-6-16-15(11-13)17(27-20(26-16)28-18(22)23)12-1-4-14(5-2-12)29-7-9-30(10-8-29)19(24)25/h1-6,11H,7-10H2,(H3,24,25)(H4,22,23,26,27,28)
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| InChIKey |
GVKPAYAYBDWCFN-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