General Information of the Compound
| Compound ID |
CP0571412
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| Compound Name |
methyl (2R)-4-methyl-2-[[2-(5-naphthalen-1-ylindol-1-yl)acetyl]amino]pentanoate
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| Structure |
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| Formula |
C27H28N2O3
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| Molecular Weight |
428.532
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| Canonical SMILES |
COC(=O)[C@@H](CC(C)C)NC(=O)Cn1ccc2cc(ccc12)-c1cccc2ccccc12
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| InChI |
InChI=1S/C27H28N2O3/c1-18(2)15-24(27(31)32-3)28-26(30)17-29-14-13-21-16-20(11-12-25(21)29)23-10-6-8-19-7-4-5-9-22(19)23/h4-14,16,18,24H,15,17H2,1-3H3,(H,28,30)/t24-/m1/s1
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| InChIKey |
AXHVLXSWTXVPKP-XMMPIXPASA-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