General Information of the Compound
| Compound ID |
CP0894004
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| Compound Name |
(5S,11S)-11-benzyl-5-isobutyl-4-methyl-2,3,4,5,10,11,13,14-octahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,1'-cyclopentane]-6,9,12(7H)-trione
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| Structure |
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| Formula |
C33H44N4O4
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| Molecular Weight |
560.739
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| Canonical SMILES |
CC(C)C[C@H]1C(=O)NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN1C
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| InChI |
InChI=1S/C33H44N4O4/c1-24(2)22-28-31(39)36-33(17-9-10-18-33)32(40)35-27(23-25-12-5-4-6-13-25)30(38)34-19-11-15-26-14-7-8-16-29(26)41-21-20-37(28)3/h4-8,11-16,24,27-28H,9-10,17-23H2,1-3H3,(H,34,38)(H,35,40)(H,36,39)/b15-11-/t27-,28-/m0/s1
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| InChIKey |
YCXMDGHSRDUEPM-BVCPMZSTSA-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