General Information of the Compound
| Compound ID |
CP0902543
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| Compound Name |
(5S,8R,11R)-11-(4-fluorobenzyl)-7,8-dimethyl-5-(2-(methylthio)ethyl)-4,5,7,8,10,11,13,14,15,16-decahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-6,9,12(3H)-trione
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| Structure |
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| Formula |
C29H39FN4O4S
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| Molecular Weight |
558.72
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| Canonical SMILES |
CSCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O
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| InChI |
InChI=1S/C29H39FN4O4S/c1-20-27(35)33-25(19-21-10-12-23(30)13-11-21)28(36)32-15-6-8-22-7-4-5-9-26(22)38-17-16-31-24(14-18-39-3)29(37)34(20)2/h4-5,7,9-13,20,24-25,31H,6,8,14-19H2,1-3H3,(H,32,36)(H,33,35)/t20-,24+,25-/m1/s1
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| InChIKey |
RJTGTWHZVRCWFX-DCEDVJGZSA-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