General Information of the Compound
| Compound ID |
CP0406404
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| Compound Name |
19-cyclohexyl-10-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-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 |
C35H45N5O5S
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| Molecular Weight |
647.842
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| Canonical SMILES |
COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1C[C@H](C)N[C@H](C)C1)C(=O)NS(=O)(=O)N(C)C
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| InChI |
InChI=1S/C35H45N5O5S/c1-21-18-39(19-22(2)36-21)34(42)35-17-29(35)28-16-25(45-5)12-14-26(28)32-31(23-9-7-6-8-10-23)27-13-11-24(15-30(27)40(32)20-35)33(41)37-46(43,44)38(3)4/h11-16,21-23,29,36H,6-10,17-20H2,1-5H3,(H,37,41)/t21-,22+,29?,35?
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| InChIKey |
WNCJWMBZJAIJFT-IKUAJPQESA-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