General Information of the Compound
| Compound ID |
CP0550870
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| Compound Name |
(4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)amino)methyl)piperidin-1-yl)(cyclobut-1-en-1-yl)methanone
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| Structure |
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| Formula |
C27H29N5O2
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| Molecular Weight |
455.562
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| Canonical SMILES |
Nc1ncnc(NCC2CCN(CC2)C(=O)C2=CCC2)c1-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C27H29N5O2/c28-25-24(20-9-11-23(12-10-20)34-22-7-2-1-3-8-22)26(31-18-30-25)29-17-19-13-15-32(16-14-19)27(33)21-5-4-6-21/h1-3,5,7-12,18-19H,4,6,13-17H2,(H3,28,29,30,31)
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| InChIKey |
SKYYKCUFKTXHJB-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