General Information of the Compound
| Compound ID |
CP0271322
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| Compound Name |
4-(3-(4-((5-(hydroxymethyl)-2-methylphenyl)(methyl)amino)pyrimidin-2-ylamino)-5-morpholinophenyl)piperazin-1-ol
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| Structure |
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| Formula |
C27H35N7O3
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| Molecular Weight |
505.623
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| Canonical SMILES |
CN(c1ccnc(Nc2cc(cc(c2)N2CCN(O)CC2)N2CCOCC2)n1)c1cc(CO)ccc1C
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| InChI |
InChI=1S/C27H35N7O3/c1-20-3-4-21(19-35)15-25(20)31(2)26-5-6-28-27(30-26)29-22-16-23(32-7-9-34(36)10-8-32)18-24(17-22)33-11-13-37-14-12-33/h3-6,15-18,35-36H,7-14,19H2,1-2H3,(H,28,29,30)
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| InChIKey |
CNOHNKNCBNUFBT-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