General Information of the Compound
| Compound ID |
CP0565128
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| Compound Name |
US9266877, 155
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| Structure |
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| Formula |
C42H49N7O5S
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| Molecular Weight |
763.965
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| Canonical SMILES |
Cc1c(cnn1CC1(CCCCCC1)OCCCN1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C42H49N7O5S/c1-29-33(26-43-49(29)28-42(17-6-2-3-7-18-42)54-23-9-19-47-21-24-53-25-22-47)31-14-15-37(45-38(31)40(51)52)48-20-16-30-10-8-11-32(34(30)27-48)39(50)46-41-44-35-12-4-5-13-36(35)55-41/h4-5,8,10-15,26H,2-3,6-7,9,16-25,27-28H2,1H3,(H,51,52)(H,44,46,50)
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| InChIKey |
YXBZXVKUEAJBAQ-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