General Information of the Compound
| Compound ID |
CP0540108
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| Compound Name |
US9598415, 8
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| Structure |
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| Formula |
C26H30N8O4S
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| Molecular Weight |
550.645
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| Canonical SMILES |
CC[C@H](C)n1c2nc(ncc2nc(NCc2ccc(cn2)S(=O)(=O)CC)c1=O)-c1c(OC)ncnc1C1CC1
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| InChI |
InChI=1S/C26H30N8O4S/c1-5-15(3)34-24-19(13-29-22(33-24)20-21(16-7-8-16)30-14-31-25(20)38-4)32-23(26(34)35)28-11-17-9-10-18(12-27-17)39(36,37)6-2/h9-10,12-16H,5-8,11H2,1-4H3,(H,28,32)/t15-/m0/s1
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| InChIKey |
DCSACVSUKUQBSN-HNNXBMFYSA-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