General Information of the Compound
| Compound ID |
CP0551806
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| Compound Name |
5-[3-[1-[6-[2-[2-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropyl]-2,3-dimethoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide
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| Structure |
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| Formula |
C41H65N5O11S
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| Molecular Weight |
836.062
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| Canonical SMILES |
COc1cc(CCCSC2CC(=O)N(CCCCCC(=O)NCCOCCOCCOCCOCCC(N)=O)C2=O)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC
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| InChI |
InChI=1S/C41H65N5O11S/c1-4-15-45-16-8-11-32(45)30-44-40(50)33-27-31(28-34(52-2)39(33)53-3)10-9-26-58-35-29-38(49)46(41(35)51)17-7-5-6-12-37(48)43-14-19-55-21-23-57-25-24-56-22-20-54-18-13-36(42)47/h4,27-28,32,35H,1,5-26,29-30H2,2-3H3,(H2,42,47)(H,43,48)(H,44,50)/t32-,35?/m0/s1
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| InChIKey |
YWGNZIZBLUVIEC-GYXLRUHFSA-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