General Information of the Compound
| Compound ID |
CP0882651
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| Compound Name |
(S)-2-(4-(2,4-dichlorophenoxy)butanamido)-3-(1H-indol-3-yl)propanoic acid
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| Structure |
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| Formula |
C21H20Cl2N2O4
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| Molecular Weight |
435.307
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| Canonical SMILES |
O=C(CCCOc1ccc(Cl)cc1Cl)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
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| InChI |
InChI=1S/C21H20Cl2N2O4/c22-14-7-8-19(16(23)11-14)29-9-3-6-20(26)25-18(21(27)28)10-13-12-24-17-5-2-1-4-15(13)17/h1-2,4-5,7-8,11-12,18,24H,3,6,9-10H2,(H,25,26)(H,27,28)/t18-/m0/s1
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| InChIKey |
RDJPYQPSKKRADR-SFHVURJKSA-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