General Information of the Compound
| Compound ID |
CP0441552
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| Compound Name |
3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)-methoxyimino]-5-[4-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin-1-yl]-pentyl}-N-ethyl-benzamide
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| Structure |
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| Formula |
C33H35Cl4N5O3
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| Molecular Weight |
691.487
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| Canonical SMILES |
CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C33H35Cl4N5O3/c1-3-41(32(43)22-16-23(34)19-24(35)17-22)20-30(39-45-2)26(21-8-9-27(36)28(37)18-21)12-15-40-13-10-25(11-14-40)42-31-7-5-4-6-29(31)38-33(42)44/h4-9,16-19,25-26H,3,10-15,20H2,1-2H3,(H,38,44)/b39-30+/t26-/m1/s1
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| InChIKey |
UNTOMAYRJHGHHU-WBAJSIRJSA-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