General Information of the Compound
| Compound ID |
CP0573948
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| Compound Name |
6-(4-cyclopentylpiperazin-1-yl)-N-[[4-(diethylamino)phenyl]methyl]-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine
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| Structure |
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| Formula |
C34H54N10
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| Molecular Weight |
602.876
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| Canonical SMILES |
CCN(CC)c1ccc(CNc2nc(N3CCN(CC3)C3CCCC3)c3ncn(CCCN4CCN(CC)CC4)c3n2)cc1
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| InChI |
InChI=1S/C34H54N10/c1-4-39-18-20-40(21-19-39)16-9-17-44-27-36-31-32(43-24-22-42(23-25-43)29-10-7-8-11-29)37-34(38-33(31)44)35-26-28-12-14-30(15-13-28)41(5-2)6-3/h12-15,27,29H,4-11,16-26H2,1-3H3,(H,35,37,38)
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| InChIKey |
BLKPMTFHRSVBSZ-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
Protein ID: PT02160, Toll-like receptor 7
Protein ID: PT01922, Toll-like receptor 9