General Information of the Compound
| Compound ID |
CP0481752
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| Compound Name |
methyl (2S)-4-methyl-2-[[2-(5-quinolin-3-ylindol-1-yl)acetyl]amino]pentanoate
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| Structure |
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| Formula |
C26H27N3O3
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| Molecular Weight |
429.52
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| Canonical SMILES |
COC(=O)[C@H](CC(C)C)NC(=O)Cn1ccc2cc(ccc12)-c1cnc2ccccc2c1
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| InChI |
InChI=1S/C26H27N3O3/c1-17(2)12-23(26(31)32-3)28-25(30)16-29-11-10-20-13-18(8-9-24(20)29)21-14-19-6-4-5-7-22(19)27-15-21/h4-11,13-15,17,23H,12,16H2,1-3H3,(H,28,30)/t23-/m0/s1
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| InChIKey |
KKPUOVKCOJKCAW-QHCPKHFHSA-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