General Information of the Compound
| Compound ID |
CP0513082
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| Compound Name |
(2S)-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-4-methylpentanoic acid
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| Structure |
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| Formula |
C16H19BrN2O3
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| Molecular Weight |
367.243
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)Cn1ccc2cc(Br)ccc12)C(O)=O
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| InChI |
InChI=1S/C16H19BrN2O3/c1-10(2)7-13(16(21)22)18-15(20)9-19-6-5-11-8-12(17)3-4-14(11)19/h3-6,8,10,13H,7,9H2,1-2H3,(H,18,20)(H,21,22)/t13-/m0/s1
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| InChIKey |
CDRAIXPUDIEYIM-ZDUSSCGKSA-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