General Information of the Compound
| Compound ID |
CP0463026
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| Compound Name |
2-[4-({5-[(1-{2-[(4-amino-5-chloro-2-methoxyphenyl)carbonyloxy]ethyl}piperidin-4-yl)carbamoyl]pentyl}carbamoyl)piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
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| Structure |
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| Formula |
C37H52Cl2N6O8
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| Molecular Weight |
779.763
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
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| InChI |
InChI=1S/C37H52Cl2N6O8/c1-50-32-22-30(40)28(38)20-26(32)36(48)52-18-16-44-12-7-24(8-13-44)35(47)42-11-5-3-4-6-34(46)43-25-9-14-45(15-10-25)17-19-53-37(49)27-21-29(39)31(41)23-33(27)51-2/h20-25H,3-19,40-41H2,1-2H3,(H,42,47)(H,43,46)
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| InChIKey |
UZICMHIUCNUJMT-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