General Information of the Compound
| Compound ID |
CP0553623
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| Compound Name |
10-(4-acetylpiperazine-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 |
C35H43N5O6S
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| Molecular Weight |
661.825
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| Canonical SMILES |
COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CCN(CC1)C(C)=O)C(=O)NS(=O)(=O)N(C)C
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| InChI |
InChI=1S/C35H43N5O6S/c1-22(41)38-14-16-39(17-15-38)34(43)35-20-29(35)28-19-25(46-4)11-13-26(28)32-31(23-8-6-5-7-9-23)27-12-10-24(18-30(27)40(32)21-35)33(42)36-47(44,45)37(2)3/h10-13,18-19,23,29H,5-9,14-17,20-21H2,1-4H3,(H,36,42)
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| InChIKey |
BBLJZPXJPLUHQR-UHFFFAOYSA-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