General Information of the Compound
| Compound ID |
CP0478517
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| Compound Name |
US11304929, Example 01-026
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| Structure |
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| Formula |
C32H38ClN5O6S
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| Molecular Weight |
656.205
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| Canonical SMILES |
CC(C)OC(=O)CS(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)c1cc2cc(Cl)c(cc2n1C)-c1cnn(CCN2CCOCC2)c1
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| InChI |
InChI=1S/C32H38ClN5O6S/c1-21(2)44-31(39)20-45(41,42)26-7-5-23(6-8-26)22(3)35-32(40)30-16-24-15-28(33)27(17-29(24)36(30)4)25-18-34-38(19-25)10-9-37-11-13-43-14-12-37/h5-8,15-19,21-22H,9-14,20H2,1-4H3,(H,35,40)/t22-/m1/s1
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| InChIKey |
HPDYVTZLTDMNLY-JOCHJYFZSA-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