General Information of the Compound
| Compound ID |
CP0497171
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| Compound Name |
(S)-2-((4R,5R)-5-(1-benzyl-3-tert-butyl-1H-pyrazol-5-ylcarbamoyl)-1,3-dioxolane-4-carboxamido)-3-(4-(2,6-dichlorobenzyloxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C35H36Cl2N4O7
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| Molecular Weight |
695.6
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)[C@@H]2OCO[C@H]2C(=O)N[C@@H](Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)C(O)=O)n(Cc2ccccc2)n1
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| InChI |
InChI=1S/C35H36Cl2N4O7/c1-35(2,3)28-17-29(41(40-28)18-22-8-5-4-6-9-22)39-33(43)31-30(47-20-48-31)32(42)38-27(34(44)45)16-21-12-14-23(15-13-21)46-19-24-25(36)10-7-11-26(24)37/h4-15,17,27,30-31H,16,18-20H2,1-3H3,(H,38,42)(H,39,43)(H,44,45)/t27-,30+,31+/m0/s1
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| InChIKey |
VOYBRZYJCDABSR-LXLYTFERSA-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