General Information of the Compound
| Compound ID |
CP0547374
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| Compound Name |
10-[(3R,5S)-4-acetyl-3,5-dimethylpiperazine-1-carbonyl]-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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| Structure |
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| Formula |
C37H47N5O6S
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| Molecular Weight |
689.879
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| Canonical SMILES |
COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1C[C@H](C)N([C@H](C)C1)C(C)=O)C(=O)NS(=O)(=O)N(C)C
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| InChI |
InChI=1S/C37H47N5O6S/c1-22-19-40(20-23(2)42(22)24(3)43)36(45)37-18-31(37)30-17-27(48-6)13-15-28(30)34-33(25-10-8-7-9-11-25)29-14-12-26(16-32(29)41(34)21-37)35(44)38-49(46,47)39(4)5/h12-17,22-23,25,31H,7-11,18-21H2,1-6H3,(H,38,44)/t22-,23+,31?,37?
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| InChIKey |
HTOYEVBOEUHJBV-GZERJIQXSA-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