General Information of the Compound
| Compound ID |
CP0420791
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| Compound Name |
(2S)-2-[(5-chloro-1H-indole-3-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
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| Structure |
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| Formula |
C18H15ClN2O4
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| Molecular Weight |
358.781
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1c[nH]c2ccc(Cl)cc12
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| InChI |
InChI=1S/C18H15ClN2O4/c19-11-3-6-15-13(8-11)14(9-20-15)17(23)21-16(18(24)25)7-10-1-4-12(22)5-2-10/h1-6,8-9,16,20,22H,7H2,(H,21,23)(H,24,25)/t16-/m0/s1
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| InChIKey |
JTDQDYHYTWJLPP-INIZCTEOSA-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