General Information of the Compound
| Compound ID |
CP0963861
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| Compound Name |
(5S,11S)-5-sec-butyl-11-(thiophen-3-ylmethyl)-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 |
C30H40N4O4S
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| Molecular Weight |
552.741
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccsc2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C30H40N4O4S/c1-3-21(2)26-28(36)34-30(13-6-7-14-30)29(37)33-24(19-22-12-18-39-20-22)27(35)32-15-8-10-23-9-4-5-11-25(23)38-17-16-31-26/h4-5,8-12,18,20-21,24,26,31H,3,6-7,13-17,19H2,1-2H3,(H,32,35)(H,33,37)(H,34,36)/b10-8-/t21-,24-,26-/m0/s1
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| InChIKey |
AAOVZOGFZYRKIP-MVFPVBCMSA-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