General Information of the Compound
Compound ID |
CP0552096
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Compound Name |
2-[(2R)-4-(4-cyanophenyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyrimidine-4-carboxamide
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Structure |
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Formula |
C27H32N6O2
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Molecular Weight |
472.593
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Canonical SMILES |
C[C@@H]1CN(CCN1c1nccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(cc1)C#N
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InChI |
InChI=1S/C27H32N6O2/c1-17-16-32(22-4-2-18(15-28)3-5-22)8-9-33(17)26-29-7-6-23(30-26)25(34)31-24-20-10-19-11-21(24)14-27(35,12-19)13-20/h2-7,17,19-21,24,35H,8-14,16H2,1H3,(H,31,34)/t17-,19?,20?,21?,24?,27?/m1/s1
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InChIKey |
KDDYIEMHTUKMGS-VFHQYBAQSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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