General Information of the Compound
| Compound ID |
CP0393865
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| Compound Name |
3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)-methoxyimino]-5-[4-(2-oxo-3-thiophen-3-ylmethyl-tetrahydro-pyrimidin-1-yl)-piperidin-1-yl]-pentyl}-N-methyl-benzamide
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| Structure |
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| Formula |
C34H39Cl4N5O3S
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| Molecular Weight |
739.597
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| Canonical SMILES |
CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(Cc2ccsc2)C1=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C34H39Cl4N5O3S/c1-40(33(44)25-16-26(35)19-27(36)17-25)21-32(39-46-2)29(24-4-5-30(37)31(38)18-24)8-14-41-12-6-28(7-13-41)43-11-3-10-42(34(43)45)20-23-9-15-47-22-23/h4-5,9,15-19,22,28-29H,3,6-8,10-14,20-21H2,1-2H3/b39-32+/t29-/m1/s1
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| InChIKey |
HNYCTUJIKKNHPR-YCTXJJCUSA-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