General Information of the Compound
| Compound ID |
CP0292305
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| Compound Name |
4-[2-(4-{[3-(4-Fluoro-phenyl)-propyl]-methyl-amino}-6-piperazin-1-yl-[1,3,5]triazin-2-ylamino)-ethyl]-phenol
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| Structure |
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| Formula |
C25H32FN7O
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| Molecular Weight |
465.577
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| Canonical SMILES |
CN(CCCc1ccc(F)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
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| InChI |
InChI=1S/C25H32FN7O/c1-32(16-2-3-19-4-8-21(26)9-5-19)24-29-23(28-13-12-20-6-10-22(34)11-7-20)30-25(31-24)33-17-14-27-15-18-33/h4-11,27,34H,2-3,12-18H2,1H3,(H,28,29,30,31)
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| InChIKey |
XYHKCYDTSYOWPV-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