General Information of the Compound
| Compound ID |
CP0903685
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| Compound Name |
(5S,11S)-11-ethyl-5-isobutyl-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 |
C27H40N4O4
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| Molecular Weight |
484.641
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| Canonical SMILES |
CC[C@@H]1NC(=O)C2(CCCC2)NC(=O)[C@H](CC(C)C)NCCOc2ccccc2/C=C\CNC1=O
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| InChI |
InChI=1S/C27H40N4O4/c1-4-21-24(32)29-15-9-11-20-10-5-6-12-23(20)35-17-16-28-22(18-19(2)3)25(33)31-27(26(34)30-21)13-7-8-14-27/h5-6,9-12,19,21-22,28H,4,7-8,13-18H2,1-3H3,(H,29,32)(H,30,34)(H,31,33)/b11-9-/t21-,22-/m0/s1
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| InChIKey |
IERVERYRYOIXPT-IRYYASCTSA-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