General Information of the Compound
| Compound ID |
CP0429219
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| Compound Name |
(1S,5S)-4-Methoxymethoxy-2-((S)-3-methyl-2-{(S)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-octahydro-cyclopenta[c]pyrrole-1-carboxylic acid [(R)-1-((S)-1-phenyl-ethylaminooxalyl)-butyl]-amide
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| Structure |
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| Formula |
C39H55N7O8
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| Molecular Weight |
749.91
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| Canonical SMILES |
CCCC(NC(=O)[C@@H]1[C@H]2CC[C@@H](OCOC)C2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1
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| InChI |
InChI=1S/C39H55N7O8/c1-8-12-28(34(47)38(51)42-24(6)25-13-10-9-11-14-25)43-37(50)33-26-15-16-30(54-21-53-7)27(26)20-46(33)39(52)32(23(4)5)45-36(49)31(22(2)3)44-35(48)29-19-40-17-18-41-29/h9-11,13-14,17-19,22-24,26-28,30-33H,8,12,15-16,20-21H2,1-7H3,(H,42,51)(H,43,50)(H,44,48)(H,45,49)/t24-,26-,27?,28?,30+,31-,32-,33-/m0/s1
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| InChIKey |
ZCAYHGOOAYZLQZ-JUQFJJJKSA-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