General Information of the Compound
| Compound ID |
CP0513054
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| Compound Name |
N'-[1-[[(1R,2S)-2-[benzyl(methyl)carbamoyl]-2-(3,4-dichlorophenyl)cyclopropyl]methyl]-4-phenylpiperidin-4-yl]-N'-methyloxamide
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| Structure |
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| Formula |
C33H36Cl2N4O3
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| Molecular Weight |
607.582
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(N(C)C(=O)C(N)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C33H36Cl2N4O3/c1-37(21-23-9-5-3-6-10-23)31(42)33(25-13-14-27(34)28(35)19-25)20-26(33)22-39-17-15-32(16-18-39,24-11-7-4-8-12-24)38(2)30(41)29(36)40/h3-14,19,26H,15-18,20-22H2,1-2H3,(H2,36,40)/t26-,33+/m0/s1
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| InChIKey |
JMQSWRWZRVMVJM-OOOSNSGVSA-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