General Information of the Compound
| Compound ID |
CP0317074
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| Compound Name |
4-N-(3-chloro-2H-indazol-4-yl)-2-N-(3,5-dimorpholin-4-ylphenyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C25H27ClN8O2
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| Molecular Weight |
506.998
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| Canonical SMILES |
Clc1n[nH]c2cccc(Nc3ccnc(Nc4cc(cc(c4)N4CCOCC4)N4CCOCC4)n3)c12
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| InChI |
InChI=1S/C25H27ClN8O2/c26-24-23-20(2-1-3-21(23)31-32-24)29-22-4-5-27-25(30-22)28-17-14-18(33-6-10-35-11-7-33)16-19(15-17)34-8-12-36-13-9-34/h1-5,14-16H,6-13H2,(H,31,32)(H2,27,28,29,30)
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| InChIKey |
ITPFTDUSDPSFON-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