General Information of the Compound
| Compound ID |
CP0519820
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| Compound Name |
N-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-9-pyridin-3-ylpurin-6-amine
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| Structure |
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| Formula |
C23H22Cl2N10
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| Molecular Weight |
509.405
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| Canonical SMILES |
CN1CCN(CC1)c1nc(NCc2nc3cc(Cl)c(Cl)cc3[nH]2)c2ncn(-c3cccnc3)c2n1
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| InChI |
InChI=1S/C23H22Cl2N10/c1-33-5-7-34(8-6-33)23-31-21(20-22(32-23)35(13-28-20)14-3-2-4-26-11-14)27-12-19-29-17-9-15(24)16(25)10-18(17)30-19/h2-4,9-11,13H,5-8,12H2,1H3,(H,29,30)(H,27,31,32)
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| InChIKey |
JSQOVEWSAMZZRI-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