General Information of the Compound
| Compound ID |
CP0864446
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| Compound Name |
(5S,11S)-5-isobutyl-11-methyl-2,3,4,5,10,11,13,14,15,16-decahydrospiro[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 |
C26H40N4O4
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| Molecular Weight |
472.63
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| Canonical SMILES |
CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](C)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C26H40N4O4/c1-18(2)17-21-24(32)30-26(12-6-7-13-26)25(33)29-19(3)23(31)28-14-8-10-20-9-4-5-11-22(20)34-16-15-27-21/h4-5,9,11,18-19,21,27H,6-8,10,12-17H2,1-3H3,(H,28,31)(H,29,33)(H,30,32)/t19-,21-/m0/s1
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| InChIKey |
RAZYCGLREXRPTN-FPOVZHCZSA-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