General Information of the Compound
| Compound ID |
CP0573946
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| Compound Name |
cyclopentyl-[4-[9-[3-(4-ethylpiperazin-1-yl)propyl]-2-[(4-methoxyphenyl)methylamino]purin-6-yl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C32H47N9O2
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| Molecular Weight |
589.789
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| Canonical SMILES |
CCN1CCN(CCCn2cnc3c(nc(NCc4ccc(OC)cc4)nc23)N2CCN(CC2)C(=O)C2CCCC2)CC1
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| InChI |
InChI=1S/C32H47N9O2/c1-3-37-15-17-38(18-16-37)13-6-14-41-24-34-28-29(39-19-21-40(22-20-39)31(42)26-7-4-5-8-26)35-32(36-30(28)41)33-23-25-9-11-27(43-2)12-10-25/h9-12,24,26H,3-8,13-23H2,1-2H3,(H,33,35,36)
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| InChIKey |
NRJMJHJFKBVQNP-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