General Information of the Compound
| Compound ID |
CP0470254
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| Compound Name |
US9266877, 87
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| Structure |
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| Formula |
C37H40N6O3S
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| Molecular Weight |
648.833
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| Canonical SMILES |
CC(C)CC1(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
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| InChI |
InChI=1S/C37H40N6O3S/c1-24(2)19-37(16-6-3-7-17-37)23-43-21-26(20-38-43)27-13-14-32(40-33(27)35(45)46)42-18-15-25-9-8-10-28(29(25)22-42)34(44)41-36-39-30-11-4-5-12-31(30)47-36/h4-5,8-14,20-21,24H,3,6-7,15-19,22-23H2,1-2H3,(H,45,46)(H,39,41,44)
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| InChIKey |
MVQZRHWCVRNVCZ-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