General Information of the Compound
| Compound ID |
CP0924063
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| Compound Name |
(5S,11R)-8-(benzyloxymethyl)-5-sec-butyl-11-(4-fluorobenzyl)-7-methyl-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 |
C37H47FN4O5
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| Molecular Weight |
646.804
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C(COCc2ccccc2)N(C)C1=O
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| InChI |
InChI=1S/C37H47FN4O5/c1-4-26(2)34-37(45)42(3)32(25-46-24-28-11-6-5-7-12-28)36(44)41-31(23-27-16-18-30(38)19-17-27)35(43)40-20-10-14-29-13-8-9-15-33(29)47-22-21-39-34/h5-9,11-13,15-19,26,31-32,34,39H,4,10,14,20-25H2,1-3H3,(H,40,43)(H,41,44)/t26-,31+,32?,34-/m0/s1
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| InChIKey |
WTGXALSFJFWPBL-UVRCKWHBSA-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