General Information of the Compound
| Compound ID |
CP0511156
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| Compound Name |
4-[2-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethyl]morpholine
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| Structure |
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| Formula |
C23H32N6O
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| Molecular Weight |
408.55
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCN3CCOCC3)c2n1
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| InChI |
InChI=1S/C23H32N6O/c1-26-8-11-28(12-9-26)21-4-2-19(3-5-21)22-24-18-20-6-7-29(23(20)25-22)13-10-27-14-16-30-17-15-27/h2-5,18H,6-17H2,1H3
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| InChIKey |
VDCMKOIMSDFQQV-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