General Information of the Compound
| Compound ID |
CP0380707
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| Compound Name |
3,5-Dichloro-N-((R)-3-(3,4-dichloro-phenyl)-2-[(Z)-methoxyimino]-5-{4-[2-oxo-3-(2H-tetrazol-5-ylmethyl)-tetrahydro-pyrimidin-1-yl]-piperidin-1-yl}-pentyl)-N-methyl-benzamide
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| Structure |
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| Formula |
C31H37Cl4N9O3
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| Molecular Weight |
725.509
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| Canonical SMILES |
CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(Cc2nnn[nH]2)C1=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C31H37Cl4N9O3/c1-41(30(45)21-14-22(32)17-23(33)15-21)18-28(38-47-2)25(20-4-5-26(34)27(35)16-20)8-13-42-11-6-24(7-12-42)44-10-3-9-43(31(44)46)19-29-36-39-40-37-29/h4-5,14-17,24-25H,3,6-13,18-19H2,1-2H3,(H,36,37,39,40)/b38-28+/t25-/m1/s1
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| InChIKey |
CGWJCDGSTFDBEP-KFZUGWGMSA-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