General Information of the Compound
| Compound ID |
CP0960974
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| Compound Name |
US8901315, 360
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| Structure |
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| Formula |
C25H37N5O3S
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| Molecular Weight |
487.67
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| Canonical SMILES |
CC(=O)N1CCN(CC2CCC(NC(=O)c3cc4c(C)nn(C5CCOCC5)c4s3)CC2)CC1
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| InChI |
InChI=1S/C25H37N5O3S/c1-17-22-15-23(34-25(22)30(27-17)21-7-13-33-14-8-21)24(32)26-20-5-3-19(4-6-20)16-28-9-11-29(12-10-28)18(2)31/h15,19-21H,3-14,16H2,1-2H3,(H,26,32)
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| InChIKey |
STBGSMKSTHGKRX-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