General Information of the Compound
| Compound ID |
CP0404221
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| Compound Name |
3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-5-(2-oxo-[1,4']bipiperidinyl-1'-yl)-2-[(Z)-3-tetrazol-1-yl-propoxyimino]-pentyl}-N-methyl-benzamide
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| Structure |
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| Formula |
C33H40Cl4N8O3
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| Molecular Weight |
738.548
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| Canonical SMILES |
CN(C\C(=N/OCCCn1cnnn1)C(CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C33H40Cl4N8O3/c1-42(33(47)24-17-25(34)20-26(35)18-24)21-31(39-48-16-4-11-44-22-38-40-41-44)28(23-6-7-29(36)30(37)19-23)10-15-43-13-8-27(9-14-43)45-12-3-2-5-32(45)46/h6-7,17-20,22,27-28H,2-5,8-16,21H2,1H3/b39-31+
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| InChIKey |
APJZDXPRSIKPNZ-KGHBKMJJSA-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: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor