General Information of the Compound
| Compound ID |
CP0273452
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| Compound Name |
1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)ethyl]-4-{10-[10-{1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)ethyl]hexahydro-4-pyridinylcarbamoyl}decyl(hexahydro-4-pyridinylmethylcarbamoylmethyl)amino]decylcarboxamido}hexahydropyridine
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| Structure |
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| Formula |
C60H97Cl2N9O9
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| Molecular Weight |
1159.396
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCN(CCCCCCCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1)CC(=O)NCC1CCNCC1
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| InChI |
InChI=1S/C60H97Cl2N9O9/c1-77-54-41-52(63)50(61)39-48(54)59(75)79-37-35-69-31-23-46(24-32-69)67-56(72)19-15-11-7-3-5-9-13-17-29-71(44-58(74)66-43-45-21-27-65-28-22-45)30-18-14-10-6-4-8-12-16-20-57(73)68-47-25-33-70(34-26-47)36-38-80-60(76)49-40-51(62)53(64)42-55(49)78-2/h39-42,45-47,65H,3-38,43-44,63-64H2,1-2H3,(H,66,74)(H,67,72)(H,68,73)
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| InChIKey |
BEQNXXXLZQEDLW-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