General Information of the Compound
| Compound ID |
CP0561852
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| Compound Name |
ethyl (2S)-2-[[(2S)-4-methyl-2-[[2-oxo-2-(2-phenyl-1H-indol-3-yl)acetyl]amino]pentanoyl]amino]-3-phenylpropanoate
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| Structure |
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| Formula |
C33H35N3O5
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| Molecular Weight |
553.659
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| Canonical SMILES |
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1
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| InChI |
InChI=1S/C33H35N3O5/c1-4-41-33(40)27(20-22-13-7-5-8-14-22)36-31(38)26(19-21(2)3)35-32(39)30(37)28-24-17-11-12-18-25(24)34-29(28)23-15-9-6-10-16-23/h5-18,21,26-27,34H,4,19-20H2,1-3H3,(H,35,39)(H,36,38)/t26-,27-/m0/s1
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| InChIKey |
TXTXUJCZFZSISJ-SVBPBHIXSA-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