General Information of the Compound
| Compound ID |
CP0552040
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| Compound Name |
US9598415, 137
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| Structure |
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| Formula |
C27H29N7O3S
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| Molecular Weight |
531.642
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| Canonical SMILES |
C[C@@H](C1CC1)n1c2nc(ncc2nc(NCc2ccc(cc2)S(C)(=O)=O)c1=O)-c1c(C)ncnc1C1CC1
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| InChI |
InChI=1S/C27H29N7O3S/c1-15-22(23(19-8-9-19)31-14-30-15)24-29-13-21-26(33-24)34(16(2)18-6-7-18)27(35)25(32-21)28-12-17-4-10-20(11-5-17)38(3,36)37/h4-5,10-11,13-14,16,18-19H,6-9,12H2,1-3H3,(H,28,32)/t16-/m0/s1
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| InChIKey |
GPNYIKJLEGXDIU-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