General Information of the Compound
| Compound ID |
CP0510583
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| Compound Name |
(2-tert-butyl-4-pyrimidin-2-ylpiperazin-1-yl)-[4-(3-chlorophenyl)phenyl]methanone
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| Structure |
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| Formula |
C25H27ClN4O
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| Molecular Weight |
434.971
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| Canonical SMILES |
CC(C)(C)C1CN(CCN1C(=O)c1ccc(cc1)-c1cccc(Cl)c1)c1ncccn1
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| InChI |
InChI=1S/C25H27ClN4O/c1-25(2,3)22-17-29(24-27-12-5-13-28-24)14-15-30(22)23(31)19-10-8-18(9-11-19)20-6-4-7-21(26)16-20/h4-13,16,22H,14-15,17H2,1-3H3
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| InChIKey |
SCGSAVDDUIZHRX-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