General Information of the Compound
| Compound ID |
CP0911469
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| Compound Name |
4-(((5S,11S)-5-sec-butyl-7-methyl-6,9,12-trioxo-2,3,4,5,6,7,9,10,11,12,13,14-dodecahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,1'-cyclopentane]-11-yl)methyl)benzoic acid
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| Structure |
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| Formula |
C34H44N4O6
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| Molecular Weight |
604.748
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(C(=O)O)cc2)NC(=O)C2(CCCC2)N(C)C1=O
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| InChI |
InChI=1S/C34H44N4O6/c1-4-23(2)29-31(40)38(3)34(17-7-8-18-34)33(43)37-27(22-24-13-15-26(16-14-24)32(41)42)30(39)36-19-9-11-25-10-5-6-12-28(25)44-21-20-35-29/h5-6,9-16,23,27,29,35H,4,7-8,17-22H2,1-3H3,(H,36,39)(H,37,43)(H,41,42)/b11-9-/t23-,27-,29-/m0/s1
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| InChIKey |
QANASCKUTHFPIC-VWTRFGGISA-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