General Information of the Compound
| Compound ID |
CP0434111
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| Compound Name |
6-(4-(1H-imidazol-1-yl)phenoxy)-2-(benzo[d][1,3]dioxol-5-ylmethyl)-N-(3-(dimethylamino)propyl)-N-methylpyrimidin-4-amine
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| Structure |
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| Formula |
C27H30N6O3
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| Molecular Weight |
486.576
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| Canonical SMILES |
CN(C)CCCN(C)c1cc(Oc2ccc(cc2)-n2ccnc2)nc(Cc2ccc3OCOc3c2)n1
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| InChI |
InChI=1S/C27H30N6O3/c1-31(2)12-4-13-32(3)26-17-27(36-22-8-6-21(7-9-22)33-14-11-28-18-33)30-25(29-26)16-20-5-10-23-24(15-20)35-19-34-23/h5-11,14-15,17-18H,4,12-13,16,19H2,1-3H3
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| InChIKey |
GQYFOXVFQHETME-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