General Information of the Compound
| Compound ID |
CP0497128
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| Compound Name |
3-chloro-4-[(1R,2S)-1,2-diamino-2-(2-chloro-4-hydroxyphenyl)ethyl]phenol
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| Structure |
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| Formula |
C14H14Cl2N2O2
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| Molecular Weight |
313.184
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| Canonical SMILES |
N[C@@H]([C@@H](N)c1ccc(O)cc1Cl)c1ccc(O)cc1Cl
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| InChI |
InChI=1S/C14H14Cl2N2O2/c15-11-5-7(19)1-3-9(11)13(17)14(18)10-4-2-8(20)6-12(10)16/h1-6,13-14,19-20H,17-18H2/t13-,14+
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| InChIKey |
FLWHMEPBYLAJEI-OKILXGFUSA-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