General Information of the Compound
| Compound ID |
CP0549552
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| Compound Name |
(2S)-2-[[3-(3-chlorophenyl)-4-methoxyphenyl]methylamino]-3-(1H-indol-3-yl)propanoic acid
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| Structure |
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| Formula |
C25H23ClN2O3
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| Molecular Weight |
434.923
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| Canonical SMILES |
COc1ccc(CN[C@@H](Cc2c[nH]c3ccccc23)C(O)=O)cc1-c1cccc(Cl)c1
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| InChI |
InChI=1S/C25H23ClN2O3/c1-31-24-10-9-16(11-21(24)17-5-4-6-19(26)12-17)14-27-23(25(29)30)13-18-15-28-22-8-3-2-7-20(18)22/h2-12,15,23,27-28H,13-14H2,1H3,(H,29,30)/t23-/m0/s1
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| InChIKey |
FBTRICRHVSRWNM-QHCPKHFHSA-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