General Information of the Compound
| Compound ID |
CP0538923
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| Compound Name |
3-chloro-N-[2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
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| Structure |
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| Formula |
C17H19ClN2O
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| Molecular Weight |
302.805
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| Canonical SMILES |
C[C@H](NCCNC(=O)c1cccc(Cl)c1)c1ccccc1
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| InChI |
InChI=1S/C17H19ClN2O/c1-13(14-6-3-2-4-7-14)19-10-11-20-17(21)15-8-5-9-16(18)12-15/h2-9,12-13,19H,10-11H2,1H3,(H,20,21)/t13-/m0/s1
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| InChIKey |
AVCACUSFRFRYKZ-ZDUSSCGKSA-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