General Information of the Compound
| Compound ID |
CP0539081
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| Compound Name |
(2S)-2-[[2-[5-[[2-(3-methoxyphenyl)acetyl]amino]indol-1-yl]acetyl]amino]-4-methylpentanoic acid
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| Structure |
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| Formula |
C25H29N3O5
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| Molecular Weight |
451.523
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| Canonical SMILES |
COc1cccc(CC(=O)Nc2ccc3n(CC(=O)N[C@@H](CC(C)C)C(O)=O)ccc3c2)c1
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| InChI |
InChI=1S/C25H29N3O5/c1-16(2)11-21(25(31)32)27-24(30)15-28-10-9-18-14-19(7-8-22(18)28)26-23(29)13-17-5-4-6-20(12-17)33-3/h4-10,12,14,16,21H,11,13,15H2,1-3H3,(H,26,29)(H,27,30)(H,31,32)/t21-/m0/s1
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| InChIKey |
LNURSLQGEDQYRP-NRFANRHFSA-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