General Information of the Compound
| Compound ID |
CP0919547
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| Compound Name |
N-((S)-1-amino-3-(3-chlorophenyl)-1-oxopropan-2-yl)-1-((2S,3R)-3-methyl-2-(3-(2-pentylphenyl)propylamino)pentanamido)cyclopentanecarboxamide
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| Structure |
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| Formula |
C34H47ClN4O3
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| Molecular Weight |
595.228
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCCc2ccccc2CCCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C34H47ClN4O3/c1-3-24(2)30-32(41)39-34(18-7-8-19-34)33(42)38-29(23-25-12-10-17-28(35)22-25)31(40)37-20-9-6-15-26-13-4-5-14-27(26)16-11-21-36-30/h4-5,10,12-14,17,22,24,29-30,36H,3,6-9,11,15-16,18-21,23H2,1-2H3,(H,37,40)(H,38,42)(H,39,41)/t24-,29-,30-/m0/s1
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| InChIKey |
CXSIOWMGEPKDEF-YDZBWFOPSA-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