General Information of the Compound
| Compound ID |
CP0100035
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| Compound Name |
(S)-3-(1H-Indol-3-yl)-2-(3-methyl-ureido)-propionic acid 3,5-dimethyl-benzyl ester
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| Structure |
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| Formula |
C22H25N3O3
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| Molecular Weight |
379.46
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| Canonical SMILES |
CNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C)cc(C)c1
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| InChI |
InChI=1S/C22H25N3O3/c1-14-8-15(2)10-16(9-14)13-28-21(26)20(25-22(27)23-3)11-17-12-24-19-7-5-4-6-18(17)19/h4-10,12,20,24H,11,13H2,1-3H3,(H2,23,25,27)/t20-/m0/s1
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| InChIKey |
MPQNAZQWGVSYGU-FQEVSTJZSA-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