General Information of the Compound
| Compound ID |
CP0798678
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| Compound Name |
N*4*-(3-Bromo-phenyl)-N*6*-[3-(4-methyl-piperazin-1-ylamino)-propyl]-pyrido[3,4-d]pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C21H27BrN8
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| Molecular Weight |
471.407
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| Canonical SMILES |
CN1CCN(NCCCNc2cc3c(Nc4cccc(Br)c4)ncnc3cn2)CC1
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| InChI |
InChI=1S/C21H27BrN8/c1-29-8-10-30(11-9-29)27-7-3-6-23-20-13-18-19(14-24-20)25-15-26-21(18)28-17-5-2-4-16(22)12-17/h2,4-5,12-15,27H,3,6-11H2,1H3,(H,23,24)(H,25,26,28)
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| InChIKey |
QZUOQDCANBALJY-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