General Information of the Compound
| Compound ID |
CP0574415
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| Compound Name |
US11518779, Compound 21
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| Structure |
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| Formula |
C22H30N8O7S
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| Molecular Weight |
550.598
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| Canonical SMILES |
Nc1nc(=O)n(cc1CSCCC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H]1C[C@H](O)[C@@H](CO)O1
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| InChI |
InChI=1S/C22H30N8O7S/c23-18-10(5-29(22(35)28-18)14-4-11(32)13(6-31)36-14)7-38-3-1-2-12-16(33)17(34)21(37-12)30-9-27-15-19(24)25-8-26-20(15)30/h5,8-9,11-14,16-17,21,31-34H,1-4,6-7H2,(H2,23,28,35)(H2,24,25,26)/t11-,12+,13+,14+,16+,17+,21+/m0/s1
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| InChIKey |
VBHJTRJFKDJUNR-HJKWLTBHSA-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