General Information of the Compound
| Compound ID |
CP0906150
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| Compound Name |
(5R,11S)-5-Benzyl-9-methyl-11-propyl-15lambda(4)-thia-3,6,9,12,17-pentaaza-bicyclo[12.2.1]heptadeca-1(16),14-diene-4,7,10-trione
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| Structure |
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| Formula |
C22H29N5O3S
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| Molecular Weight |
443.573
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| Canonical SMILES |
CCC[C@@H]1NCc2nc(cs2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O
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| InChI |
InChI=1S/C22H29N5O3S/c1-3-7-17-22(30)27(2)13-19(28)26-18(10-15-8-5-4-6-9-15)21(29)24-11-16-14-31-20(25-16)12-23-17/h4-6,8-9,14,17-18,23H,3,7,10-13H2,1-2H3,(H,24,29)(H,26,28)/t17-,18+/m0/s1
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| InChIKey |
FYSHYOQADDKZOD-ZWKOTPCHSA-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