General Information of the Compound
| Compound ID |
CP0253757
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| Compound Name |
(4-methyl-3-(methyl(2-(3-(4-methylpiperazin-1-yl)-5-morpholinophenylamino)pyrimidin-4-yl)amino)phenyl)methanol
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| Structure |
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| Formula |
C28H37N7O2
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| Molecular Weight |
503.651
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| Canonical SMILES |
CN(c1ccnc(Nc2cc(cc(c2)N2CCN(C)CC2)N2CCOCC2)n1)c1cc(CO)ccc1C
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| InChI |
InChI=1S/C28H37N7O2/c1-21-4-5-22(20-36)16-26(21)33(3)27-6-7-29-28(31-27)30-23-17-24(34-10-8-32(2)9-11-34)19-25(18-23)35-12-14-37-15-13-35/h4-7,16-19,36H,8-15,20H2,1-3H3,(H,29,30,31)
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| InChIKey |
KRHCFMCQXRZKHH-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