General Information of the Compound
| Compound ID |
CP0914436
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| Compound Name |
(5S,8R,11R)-11-benzyl-8-(tert-butoxymethyl)-5-sec-butyl-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 |
C33H48N4O5
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| Molecular Weight |
580.77
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](COC(C)(C)C)NC1=O
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| InChI |
InChI=1S/C33H48N4O5/c1-6-23(2)29-32(40)37-27(22-42-33(3,4)5)31(39)36-26(21-24-13-8-7-9-14-24)30(38)35-18-12-16-25-15-10-11-17-28(25)41-20-19-34-29/h7-11,13-15,17,23,26-27,29,34H,6,12,16,18-22H2,1-5H3,(H,35,38)(H,36,39)(H,37,40)/t23-,26+,27+,29-/m0/s1
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| InChIKey |
UKKZVWPWNWUPQF-DEEGFUGBSA-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