General Information of the Compound
| Compound ID |
CP0532917
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| Compound Name |
(2S)-2-amino-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]propanamide;hydrochloride
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| Structure |
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| Formula |
C16H17Cl3N2O2
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| Molecular Weight |
375.683
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| Canonical SMILES |
Cl.C[C@H](N)C(=O)NCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1
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| InChI |
InChI=1S/C16H16Cl2N2O2.ClH/c1-10(19)16(21)20-9-11-2-4-14(5-3-11)22-15-7-12(17)6-13(18)8-15;/h2-8,10H,9,19H2,1H3,(H,20,21);1H/t10-;/m0./s1
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| InChIKey |
ZOBVXCPBHIZKSK-PPHPATTJSA-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