General Information of the Compound
| Compound ID |
CP0379257
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| Compound Name |
(2S)-4-methyl-2-[[2-(5-pyridin-3-ylindol-1-yl)acetyl]amino]pentanoic acid
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| Structure |
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| Formula |
C21H23N3O3
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| Molecular Weight |
365.433
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)Cn1ccc2cc(ccc12)-c1cccnc1)C(O)=O
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| InChI |
InChI=1S/C21H23N3O3/c1-14(2)10-18(21(26)27)23-20(25)13-24-9-7-16-11-15(5-6-19(16)24)17-4-3-8-22-12-17/h3-9,11-12,14,18H,10,13H2,1-2H3,(H,23,25)(H,26,27)/t18-/m0/s1
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| InChIKey |
WXPABXLXKKGPPO-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