General Information of the Compound
| Compound ID |
CP0506880
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| Compound Name |
US8912224, 345
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| Structure |
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| Formula |
C22H23N2O7PS
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| Molecular Weight |
490.474
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| Canonical SMILES |
Cc1ccccc1[C@@H]1CCc2cc(Oc3ncc(s3)C(=O)NCCOP(O)(O)=O)ccc2O1
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| InChI |
InChI=1S/C22H23N2O7PS/c1-14-4-2-3-5-17(14)19-8-6-15-12-16(7-9-18(15)31-19)30-22-24-13-20(33-22)21(25)23-10-11-29-32(26,27)28/h2-5,7,9,12-13,19H,6,8,10-11H2,1H3,(H,23,25)(H2,26,27,28)/t19-/m0/s1
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| InChIKey |
UZLPFCIFXVIRKX-IBGZPJMESA-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