General Information of the Compound
| Compound ID |
CP0899604
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| Compound Name |
(5S,11S)-5-sec-butyl-11-(3-chlorobenzyl)-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 |
C31H42ClN5O4
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| Molecular Weight |
584.161
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ncccc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C31H42ClN5O4/c1-3-21(2)26-28(39)37-31(13-4-5-14-31)30(40)36-25(20-22-9-6-12-24(32)19-22)27(38)34-15-7-10-23-11-8-16-35-29(23)41-18-17-33-26/h6,8-9,11-12,16,19,21,25-26,33H,3-5,7,10,13-15,17-18,20H2,1-2H3,(H,34,38)(H,36,40)(H,37,39)/t21-,25-,26-/m0/s1
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| InChIKey |
DUTUQAHXWHXVCU-MZBJOSPHSA-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