General Information of the Compound
| Compound ID |
CP0404410
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| Compound Name |
N-[(2Z)-2-(2-amino-2-oxoethoxy)imino-3-(3,4-dichlorophenyl)-5-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]pentyl]-3,5-dichloro-N-methylbenzamide
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| Structure |
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| Formula |
C31H37Cl4N5O4
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| Molecular Weight |
685.48
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| Canonical SMILES |
CN(C\C(=N/OCC(N)=O)C(CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C31H37Cl4N5O4/c1-38(31(43)21-14-22(32)17-23(33)15-21)18-28(37-44-19-29(36)41)25(20-5-6-26(34)27(35)16-20)9-13-39-11-7-24(8-12-39)40-10-3-2-4-30(40)42/h5-6,14-17,24-25H,2-4,7-13,18-19H2,1H3,(H2,36,41)/b37-28+
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| InChIKey |
HIAJKTDCGCVKRZ-PNFNHJRFSA-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