General Information of the Compound
| Compound ID |
CP0522813
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| Compound Name |
US10272079, Compound 104
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| Structure |
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| Formula |
C27H35Cl2N3O6S
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| Molecular Weight |
600.565
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| Canonical SMILES |
CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCOCCNC(=O)C=C)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C27H35Cl2N3O6S/c1-3-27(33)30-7-9-36-11-13-38-14-12-37-10-8-31-39(34,35)22-6-4-5-20(15-22)24-18-32(2)19-25-23(24)16-21(28)17-26(25)29/h3-6,15-17,24,31H,1,7-14,18-19H2,2H3,(H,30,33)/t24-/m0/s1
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| InChIKey |
VTXXHVJJIYQXPI-DEOSSOPVSA-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