General Information of the Compound
| Compound ID |
CP0507825
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| Compound Name |
(S)-2-((4R,5R)-5-(biphenyl-2-ylcarbamoyl)-1,3-dioxolane-4-carboxamido)-3-(4-(2,6-dichloroisonicotinamido)phenyl)propanoic acid
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| Structure |
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| Formula |
C32H26Cl2N4O7
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| Molecular Weight |
649.487
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)Nc1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C32H26Cl2N4O7/c33-25-15-20(16-26(34)38-25)29(39)35-21-12-10-18(11-13-21)14-24(32(42)43)37-31(41)28-27(44-17-45-28)30(40)36-23-9-5-4-8-22(23)19-6-2-1-3-7-19/h1-13,15-16,24,27-28H,14,17H2,(H,35,39)(H,36,40)(H,37,41)(H,42,43)/t24-,27+,28+/m0/s1
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| InChIKey |
CXZGBTXRFRZHGY-HNPKZYAISA-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