General Information of the Compound
| Compound ID |
CP0512755
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| Compound Name |
(1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2-((4-phenyl-4-ureidopiperidin-1-yl)methyl)cyclopropanecarboxamide
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| Structure |
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| Formula |
C31H34Cl2N4O2
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| Molecular Weight |
565.545
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NC(N)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C31H34Cl2N4O2/c1-36(20-22-8-4-2-5-9-22)28(38)31(24-12-13-26(32)27(33)18-24)19-25(31)21-37-16-14-30(15-17-37,35-29(34)39)23-10-6-3-7-11-23/h2-13,18,25H,14-17,19-21H2,1H3,(H3,34,35,39)/t25-,31+/m0/s1
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| InChIKey |
FYWXEKFVHHPBEC-VVFBEHOQSA-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