General Information of the Compound
| Compound ID |
CP0848576
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| Compound Name |
(5S,11S)-5-sec-butyl-11-(3-chlorobenzyl)-15-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 |
C33H45ClN4O4
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| Molecular Weight |
597.2
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2CC(C)CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C33H45ClN4O4/c1-4-23(3)29-31(40)38-33(14-7-8-15-33)32(41)37-27(20-24-10-9-12-26(34)19-24)30(39)36-21-22(2)18-25-11-5-6-13-28(25)42-17-16-35-29/h5-6,9-13,19,22-23,27,29,35H,4,7-8,14-18,20-21H2,1-3H3,(H,36,39)(H,37,41)(H,38,40)/t22?,23-,27-,29-/m0/s1
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| InChIKey |
PYOVNNVPPBVIFJ-SFJLQABCSA-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