General Information of the Compound
| Compound ID |
CP0536790
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| Compound Name |
4-[3-[4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine
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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 |
CN1CCN(CC1)c1ccc(cc1)-c1nc2N(CCCN3CCOCC3)CCc2c(C)n1
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| InChI |
InChI=1S/C25H36N6O/c1-20-23-8-11-31(10-3-9-29-16-18-32-19-17-29)25(23)27-24(26-20)21-4-6-22(7-5-21)30-14-12-28(2)13-15-30/h4-7H,3,8-19H2,1-2H3
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| InChIKey |
XBHZUFUHBXUHQT-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