General Information of the Compound
| Compound ID |
CP0901762
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| Compound Name |
(5S,8R,11R)-11-benzyl-5-sec-butyl-8-(thiazol-4-ylmethyl)-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 |
C32H41N5O4S
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| Molecular Weight |
591.778
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cscn2)NC1=O
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| InChI |
InChI=1S/C32H41N5O4S/c1-3-22(2)29-32(40)37-27(19-25-20-42-21-35-25)31(39)36-26(18-23-10-5-4-6-11-23)30(38)34-15-9-13-24-12-7-8-14-28(24)41-17-16-33-29/h4-8,10-12,14,20-22,26-27,29,33H,3,9,13,15-19H2,1-2H3,(H,34,38)(H,36,39)(H,37,40)/t22-,26+,27+,29-/m0/s1
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| InChIKey |
PGCPAHGKYHLINT-ARGZUQHLSA-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