General Information of the Compound
| Compound ID |
CP0510992
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| Compound Name |
(2S)-4-methyl-2-[[2-(5-phenylindol-1-yl)acetyl]amino]pentanoic acid
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| Structure |
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| Formula |
C22H24N2O3
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| Molecular Weight |
364.445
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)Cn1ccc2cc(ccc12)-c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C22H24N2O3/c1-15(2)12-19(22(26)27)23-21(25)14-24-11-10-18-13-17(8-9-20(18)24)16-6-4-3-5-7-16/h3-11,13,15,19H,12,14H2,1-2H3,(H,23,25)(H,26,27)/t19-/m0/s1
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| InChIKey |
WMYNSUOIPBOTFG-IBGZPJMESA-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