General Information of the Compound
| Compound ID |
CP0949435
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| Compound Name |
(5S,8R,11S)-5-cyclopropyl-11-(4-fluorobenzyl)-7,8-dimethyl-1-oxa-4,7,10,13-tetraazacyclooctadecane-6,9,12-trione
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| Structure |
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| Formula |
C25H37FN4O4
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| Molecular Weight |
476.593
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| Canonical SMILES |
C[C@@H]1C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NCCCCCOCCN[C@@H](C2CC2)C(=O)N1C
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| InChI |
InChI=1S/C25H37FN4O4/c1-17-23(31)29-21(16-18-6-10-20(26)11-7-18)24(32)28-12-4-3-5-14-34-15-13-27-22(19-8-9-19)25(33)30(17)2/h6-7,10-11,17,19,21-22,27H,3-5,8-9,12-16H2,1-2H3,(H,28,32)(H,29,31)/t17-,21+,22+/m1/s1
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| InChIKey |
UPDLCGCEEJLVOQ-WTNAPCKOSA-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