General Information of the Compound
| Compound ID |
CP0424454
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| Compound Name |
3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)-methoxyimino]-5-[4-(3-methylcarbamoylmethyl-2-oxo-tetrahydro-pyrimidin-1-yl)-piperidin-1-yl]-pentyl}-N-methyl-benzamide
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| Structure |
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| Formula |
C32H40Cl4N6O4
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| Molecular Weight |
714.522
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| Canonical SMILES |
CNC(=O)CN1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
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| InChI |
InChI=1S/C32H40Cl4N6O4/c1-37-30(43)20-41-10-4-11-42(32(41)45)25-7-12-40(13-8-25)14-9-26(21-5-6-27(35)28(36)17-21)29(38-46-3)19-39(2)31(44)22-15-23(33)18-24(34)16-22/h5-6,15-18,25-26H,4,7-14,19-20H2,1-3H3,(H,37,43)/b38-29+/t26-/m1/s1
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| InChIKey |
LMJTUYSCJIQXFP-KTPANICASA-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