General Information of the Compound
| Compound ID |
CP0147290
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| Compound Name |
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
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| Structure |
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| Formula |
C21H21N3O2
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| Molecular Weight |
347.418
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| Canonical SMILES |
OC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)-c1ccncc1
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| InChI |
InChI=1S/C21H21N3O2/c25-15-20(14-16-4-2-1-3-5-16)24-21(26)23-19-8-6-17(7-9-19)18-10-12-22-13-11-18/h1-13,20,25H,14-15H2,(H2,23,24,26)/t20-/m0/s1
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| InChIKey |
SRRAUFVOVSRECG-FQEVSTJZSA-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