General Information of the Compound
| Compound ID |
CP0875585
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| Compound Name |
2-(((5S,11S)-11-(4-chlorobenzyl)-6,9,12-trioxo-2,3,4,5,6,7,9,10,11,12,13,14-dodecahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,1'-cyclopentane]-5-yl)methyl)benzonitrile
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| Structure |
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| Formula |
C36H38ClN5O4
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| Molecular Weight |
640.184
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| Canonical SMILES |
N#Cc1ccccc1C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C36H38ClN5O4/c37-29-15-13-25(14-16-29)22-31-33(43)40-19-7-11-26-8-3-4-12-32(26)46-21-20-39-30(23-27-9-1-2-10-28(27)24-38)34(44)42-36(35(45)41-31)17-5-6-18-36/h1-4,7-16,30-31,39H,5-6,17-23H2,(H,40,43)(H,41,45)(H,42,44)/b11-7-/t30-,31-/m0/s1
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| InChIKey |
FWLAWZUZODYDNO-MQKYRYHBSA-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