General Information of the Compound
| Compound ID |
CP0376410
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| Compound Name |
methyl 2-[3-chloro-4-[3-[5-(dithiolan-3-yl)pentanoyl-methylamino]propoxy]phenyl]acetate
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| Structure |
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| Formula |
C21H30ClNO4S2
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| Molecular Weight |
460.061
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| Canonical SMILES |
COC(=O)Cc1ccc(OCCCN(C)C(=O)CCCCC2CCSS2)c(Cl)c1
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| InChI |
InChI=1S/C21H30ClNO4S2/c1-23(20(24)7-4-3-6-17-10-13-28-29-17)11-5-12-27-19-9-8-16(14-18(19)22)15-21(25)26-2/h8-9,14,17H,3-7,10-13,15H2,1-2H3
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| InChIKey |
SMIBYZRCIQDRNX-UHFFFAOYSA-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