General Information of the Compound
| Compound ID |
CP0878598
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| Compound Name |
2-{4-[(2-{N-[3-(4-{3-[N-({[(1-{2-[(4-amino-5-chloro-2-methoxyphenyl)carbonyloxy]ethyl}piperidin-4-yl)methyl]carbamoyl}methyl)-2,2-dimethylpropanamido]propyl}phenyl)propyl]-2,2-dimethylpropanamido}acetamido)methyl]piperidin-1-yl}ethyl 4-amino-5-chloro-2-methoxybenzoate
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| Structure |
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| Formula |
C58H84Cl2N8O12
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| Molecular Weight |
1156.26
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CN(CCCc2ccc(CCCN(CC(=O)NCC3CCN(CCOC(=O)c4cc(Cl)c(N)cc4OC)CC3)C(=O)OC(C)(C)C)cc2)C(=O)OC(C)(C)C)CC1
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| InChI |
InChI=1S/C58H84Cl2N8O12/c1-57(2,3)79-55(73)67(37-51(69)63-35-41-17-23-65(24-18-41)27-29-77-53(71)43-31-45(59)47(61)33-49(43)75-7)21-9-11-39-13-15-40(16-14-39)12-10-22-68(56(74)80-58(4,5)6)38-52(70)64-36-42-19-25-66(26-20-42)28-30-78-54(72)44-32-46(60)48(62)34-50(44)76-8/h13-16,31-34,41-42H,9-12,17-30,35-38,61-62H2,1-8H3,(H,63,69)(H,64,70)
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| InChIKey |
NTLDQOZNAXKKER-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