General Information of the Compound
| Compound ID |
CP0455911
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| Compound Name |
4-[4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]butyl]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)-c1ncc2CCN(CCCCN3CCOCC3)c2n1
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| InChI |
InChI=1S/C25H36N6O/c1-28-12-14-30(15-13-28)23-6-4-21(5-7-23)24-26-20-22-8-11-31(25(22)27-24)10-3-2-9-29-16-18-32-19-17-29/h4-7,20H,2-3,8-19H2,1H3
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| InChIKey |
GFNQQPOAGBARDG-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