General Information of the Compound
| Compound ID |
CP0883270
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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-8,3'-pyrrolidine]-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]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCNC2)NC1=O
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| InChI |
InChI=1S/C31H42ClN5O4/c1-3-21(2)27-29(39)37-31(13-15-33-20-31)30(40)36-25(19-22-8-6-11-24(32)18-22)28(38)35-14-7-10-23-9-4-5-12-26(23)41-17-16-34-27/h4-6,8-9,11-12,18,21,25,27,33-34H,3,7,10,13-17,19-20H2,1-2H3,(H,35,38)(H,36,40)(H,37,39)/t21-,25-,27-,31?/m0/s1
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| InChIKey |
LJZLANBXVUYVFJ-BFCGSWSTSA-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