General Information of the Compound
| Compound ID |
CP0869405
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| Compound Name |
5-sec-butyl-11-(4-chlorobenzyl)-2,3,4,4',5,5',10,11,13,14-decahydro-2'H-spiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,3'-furan]-6,9,12(7H)-trione
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| Structure |
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| Formula |
C31H39ClN4O5
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| Molecular Weight |
583.129
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| Canonical SMILES |
CCC(C)C1NCCOc2ccccc2/C=C\CNC(=O)C(Cc2ccc(Cl)cc2)NC(=O)C2(CCOC2)NC1=O
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| InChI |
InChI=1S/C31H39ClN4O5/c1-3-21(2)27-29(38)36-31(14-17-40-20-31)30(39)35-25(19-22-10-12-24(32)13-11-22)28(37)34-15-6-8-23-7-4-5-9-26(23)41-18-16-33-27/h4-13,21,25,27,33H,3,14-20H2,1-2H3,(H,34,37)(H,35,39)(H,36,38)/b8-6-
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| InChIKey |
PQKZYBIPLCCSHM-VURMDHGXSA-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