General Information of the Compound
| Compound ID |
CP0894738
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| Compound Name |
(2S,5R,11S)-11-(3-chlorobenzyl)-5-isobutyl-2-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)C[C@H]1NC[C@H](C)Oc2ccccc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C33H45ClN4O4/c1-22(2)18-27-31(40)38-33(15-6-7-16-33)32(41)37-28(20-24-10-8-13-26(34)19-24)30(39)35-17-9-12-25-11-4-5-14-29(25)42-23(3)21-36-27/h4-5,8,10-11,13-14,19,22-23,27-28,36H,6-7,9,12,15-18,20-21H2,1-3H3,(H,35,39)(H,37,41)(H,38,40)/t23-,27+,28-/m0/s1
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| InChIKey |
JTJDTRSPUXOKGJ-LBNPDIFZSA-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