General Information of the Compound
| Compound ID |
CP0469227
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| Compound Name |
19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]-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 |
C36H47N5O5S
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| Molecular Weight |
661.869
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| Canonical SMILES |
COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1C[C@H](C)N(C)[C@H](C)C1)C(=O)NS(=O)(=O)N(C)C
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| InChI |
InChI=1S/C36H47N5O5S/c1-22-19-40(20-23(2)39(22)5)35(43)36-18-30(36)29-17-26(46-6)13-15-27(29)33-32(24-10-8-7-9-11-24)28-14-12-25(16-31(28)41(33)21-36)34(42)37-47(44,45)38(3)4/h12-17,22-24,30H,7-11,18-21H2,1-6H3,(H,37,42)/t22-,23+,30?,36?
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| InChIKey |
BDIRYRDVYCQVOY-AVKWDMCDSA-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