General Information of the Compound
| Compound ID |
CP0888297
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| Compound Name |
5-sec-butyl-11-(3-chlorobenzyl)-2,3,4,5,10,11,13,14-octahydrospiro[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 |
C33H43ClN4O3
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| Molecular Weight |
579.185
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| Canonical SMILES |
CCC(C)C1NCCCc2ccccc2/C=C\CNC(=O)C(Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C33H43ClN4O3/c1-3-23(2)29-31(40)38-33(17-6-7-18-33)32(41)37-28(22-24-11-8-16-27(34)21-24)30(39)36-20-10-15-26-13-5-4-12-25(26)14-9-19-35-29/h4-5,8,10-13,15-16,21,23,28-29,35H,3,6-7,9,14,17-20,22H2,1-2H3,(H,36,39)(H,37,41)(H,38,40)/b15-10-
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| InChIKey |
GPRIWCCKHIWKBV-GDNBJRDFSA-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