General Information of the Compound
| Compound ID |
CP0893996
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| Compound Name |
(5S,11S)-5-(4-aminobutyl)-11-benzyl-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 |
C32H45N5O4
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| Molecular Weight |
563.743
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| Canonical SMILES |
NCCCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C32H45N5O4/c33-19-9-6-15-26-30(39)37-32(17-7-8-18-32)31(40)36-27(23-24-11-2-1-3-12-24)29(38)35-20-10-14-25-13-4-5-16-28(25)41-22-21-34-26/h1-5,11-13,16,26-27,34H,6-10,14-15,17-23,33H2,(H,35,38)(H,36,40)(H,37,39)/t26-,27-/m0/s1
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| InChIKey |
QOSUHFCDNVLVLA-SVBPBHIXSA-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