General Information of the Compound
| Compound ID |
CP0419911
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| Compound Name |
methyl (2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[[2-oxo-2-(2-phenyl-1H-indol-3-yl)acetyl]amino]pentanoyl]amino]pentanoate
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| Structure |
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| Formula |
C29H35N3O5
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| Molecular Weight |
505.615
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)OC
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| InChI |
InChI=1S/C29H35N3O5/c1-6-17(3)23(27(34)32-24(18(4)7-2)29(36)37-5)31-28(35)26(33)22-20-15-11-12-16-21(20)30-25(22)19-13-9-8-10-14-19/h8-18,23-24,30H,6-7H2,1-5H3,(H,31,35)(H,32,34)/t17-,18-,23-,24-/m0/s1
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| InChIKey |
DSKXIRKCUGRZJR-MQQADFIWSA-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