General Information of the Compound
| Compound ID |
CP0906151
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| Compound Name |
3-((5S,11S)-5-isobutyl-6,9,12-trioxo-2,3,4,5,6,7,9,10,11,12,13,14,15,16-tetradecahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,1'-cyclopentane]-11-yl)propanoic acid
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| Structure |
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| Formula |
C28H42N4O6
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| Molecular Weight |
530.666
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| Canonical SMILES |
CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](CCC(=O)O)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C28H42N4O6/c1-19(2)18-22-26(36)32-28(13-5-6-14-28)27(37)31-21(11-12-24(33)34)25(35)30-15-7-9-20-8-3-4-10-23(20)38-17-16-29-22/h3-4,8,10,19,21-22,29H,5-7,9,11-18H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,34)/t21-,22-/m0/s1
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| InChIKey |
DRPBIZDGRWBNQI-VXKWHMMOSA-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