General Information of the Compound
| Compound ID |
CP0498610
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| Compound Name |
4-methoxy-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
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| Structure |
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| Formula |
C25H36N6O
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| Molecular Weight |
436.604
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| Canonical SMILES |
COc1nc(nc2N(CCCN3CCCC3)CCc12)-c1ccc(cc1)N1CCN(C)CC1
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| InChI |
InChI=1S/C25H36N6O/c1-28-16-18-30(19-17-28)21-8-6-20(7-9-21)23-26-24-22(25(27-23)32-2)10-15-31(24)14-5-13-29-11-3-4-12-29/h6-9H,3-5,10-19H2,1-2H3
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| InChIKey |
CHVMATDFWWCQOH-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