General Information of the Compound
| Compound ID |
CP0394239
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| Compound Name |
3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[3-(2-methanesulfonylamino-ethyl)-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 |
C32H42Cl4N6O5S
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| Molecular Weight |
764.604
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| Canonical SMILES |
CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CCNS(C)(=O)=O)C1=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C32H42Cl4N6O5S/c1-39(31(43)23-17-24(33)20-25(34)18-23)21-30(38-47-2)27(22-5-6-28(35)29(36)19-22)9-15-40-13-7-26(8-14-40)42-12-4-11-41(32(42)44)16-10-37-48(3,45)46/h5-6,17-20,26-27,37H,4,7-16,21H2,1-3H3/b38-30+/t27-/m1/s1
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| InChIKey |
OPGIRYHKVMNCBN-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