General Information of the Compound
| Compound ID |
CP0406314
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| Compound Name |
3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[3-(2-hydroxy-2-methyl-propyl)-2-oxo-tetrahydro-pyrimidin-1-yl]-piperidin-1-yl}-2-[(Z)-methoxyimino]-pentyl}-N-methyl-benzamide
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| Structure |
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| Formula |
C33H43Cl4N5O4
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| Molecular Weight |
715.55
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| Canonical SMILES |
CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(C)(C)O)C1=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C33H43Cl4N5O4/c1-33(2,45)21-41-11-5-12-42(32(41)44)26-8-13-40(14-9-26)15-10-27(22-6-7-28(36)29(37)18-22)30(38-46-4)20-39(3)31(43)23-16-24(34)19-25(35)17-23/h6-7,16-19,26-27,45H,5,8-15,20-21H2,1-4H3/b38-30+/t27-/m1/s1
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| InChIKey |
ZOWPPIOEPFAGCI-RUEZRPTRSA-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
Protein ID: PT01199, Neuromedin-K receptor
Protein ID: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor