General Information of the Compound
| Compound ID |
CP0403520
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| Compound Name |
methyl 2-[(Z)-[1-[(3,5-dichlorobenzoyl)-methylamino]-3-(3,4-dichlorophenyl)-5-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]pentan-2-ylidene]amino]oxyacetate
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| Structure |
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| Formula |
C32H38Cl4N4O5
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| Molecular Weight |
700.491
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| Canonical SMILES |
COC(=O)CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C32H38Cl4N4O5/c1-38(32(43)22-15-23(33)18-24(34)16-22)19-29(37-45-20-31(42)44-2)26(21-6-7-27(35)28(36)17-21)10-14-39-12-8-25(9-13-39)40-11-4-3-5-30(40)41/h6-7,15-18,25-26H,3-5,8-14,19-20H2,1-2H3/b37-29+
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| InChIKey |
HXMZUPPJLGAPIV-SMTCOIIISA-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