General Information of the Compound
| Compound ID |
CP0919533
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| Compound Name |
(5S,8R,11R)-11-(4-bromobenzyl)-5-cyclopropyl-7,8-dimethyl-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 |
C29H37BrN4O4
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| Molecular Weight |
585.543
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| Canonical SMILES |
C[C@@H]1C(=O)N[C@H](Cc2ccc(Br)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C
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| InChI |
InChI=1S/C29H37BrN4O4/c1-19-27(35)33-24(18-20-9-13-23(30)14-10-20)28(36)32-15-5-7-21-6-3-4-8-25(21)38-17-16-31-26(22-11-12-22)29(37)34(19)2/h3-4,6,8-10,13-14,19,22,24,26,31H,5,7,11-12,15-18H2,1-2H3,(H,32,36)(H,33,35)/t19-,24-,26+/m1/s1
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| InChIKey |
ZMLLKBOQNXLESV-OXTYCOSGSA-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