General Information of the Compound
| Compound ID |
CP0313189
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| Compound Name |
US10568884, Cpd 5
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| Structure |
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| Formula |
C24H32ClN7O4S
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| Molecular Weight |
550.085
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| Canonical SMILES |
CCCS(=O)(=O)Nc1cc(Cl)cc(c1)-c1nn(cc1-c1ccnc(NC[C@H](C)NC(=O)OC)n1)C(C)C
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| InChI |
InChI=1S/C24H32ClN7O4S/c1-6-9-37(34,35)31-19-11-17(10-18(25)12-19)22-20(14-32(30-22)15(2)3)21-7-8-26-23(29-21)27-13-16(4)28-24(33)36-5/h7-8,10-12,14-16,31H,6,9,13H2,1-5H3,(H,28,33)(H,26,27,29)/t16-/m0/s1
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| InChIKey |
PCDHTILQESNIQQ-INIZCTEOSA-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