General Information of the Compound
| Compound ID |
CP0510582
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| Compound Name |
benzyl N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]carbamate
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| Structure |
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| Formula |
C23H23N5O3
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| Molecular Weight |
417.469
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| Canonical SMILES |
O=C(Nc1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1)OCc1ccccc1
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| InChI |
InChI=1S/C23H23N5O3/c29-21(27-13-15-28(16-14-27)22-24-11-4-12-25-22)19-7-9-20(10-8-19)26-23(30)31-17-18-5-2-1-3-6-18/h1-12H,13-17H2,(H,26,30)
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| InChIKey |
NRUFCYGGRJCTOA-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