General Information of the Compound
| Compound ID |
CP0852025
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| Compound Name |
trans-1-[2-(2-Aminomethylcyclopropyl)phenyl]-3-(4-chlorophenyl)urea Hydrochloride
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| Structure |
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| Formula |
C17H19Cl2N3O
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| Molecular Weight |
352.265
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| Canonical SMILES |
Cl.NC[C@H]1C[C@@H]1c1ccccc1NC(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C17H18ClN3O.ClH/c18-12-5-7-13(8-6-12)20-17(22)21-16-4-2-1-3-14(16)15-9-11(15)10-19;/h1-8,11,15H,9-10,19H2,(H2,20,21,22);1H/t11-,15+;/m1./s1
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| InChIKey |
YOCZZHSWAYGTIP-BTAXJDQBSA-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