General Information of the Compound
| Compound ID |
CP0470867
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| Compound Name |
(S)-3-(4-(2,6-dichlorobenzyloxy)phenyl)-2-((4R,5R)-5-(5-methyl-1,3,4-thiadiazol-2-ylcarbamoyl)-1,3-dioxolane-4-carboxamido)propanoic acid
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| Structure |
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| Formula |
C24H22Cl2N4O7S
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| Molecular Weight |
581.434
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| Canonical SMILES |
Cc1nnc(NC(=O)[C@@H]2OCO[C@H]2C(=O)N[C@@H](Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)C(O)=O)s1
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| InChI |
InChI=1S/C24H22Cl2N4O7S/c1-12-29-30-24(38-12)28-22(32)20-19(36-11-37-20)21(31)27-18(23(33)34)9-13-5-7-14(8-6-13)35-10-15-16(25)3-2-4-17(15)26/h2-8,18-20H,9-11H2,1H3,(H,27,31)(H,33,34)(H,28,30,32)/t18-,19+,20+/m0/s1
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| InChIKey |
ICFCAIXGDGBDSO-XUVXKRRUSA-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