General Information of the Compound
| Compound ID |
CP0269667
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| Compound Name |
2-[4-({10-[(1-{2-[(4-amino-5-chloro-2-methoxyphenyl)carbonyloxy]ethyl}piperidin-4-yl)carbamoyl]decyl}carbamoyl)piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
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| Structure |
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| Formula |
C42H62Cl2N6O8
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| Molecular Weight |
849.898
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
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| InChI |
InChI=1S/C42H62Cl2N6O8/c1-55-37-27-35(45)33(43)25-31(37)41(53)57-23-21-49-17-12-29(13-18-49)40(52)47-16-10-8-6-4-3-5-7-9-11-39(51)48-30-14-19-50(20-15-30)22-24-58-42(54)32-26-34(44)36(46)28-38(32)56-2/h25-30H,3-24,45-46H2,1-2H3,(H,47,52)(H,48,51)
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| InChIKey |
FMLZZRADBXIUOK-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