General Information of the Compound
| Compound ID |
CP0550217
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| Compound Name |
US8901315, 325
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| Structure |
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| Formula |
C19H25N5O3S
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| Molecular Weight |
403.508
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| Canonical SMILES |
C[C@H](CN1C(=O)CNC1=O)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1
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| InChI |
InChI=1S/C19H25N5O3S/c1-11(10-23-16(25)9-20-19(23)27)21-17(26)15-8-14-12(2)22-24(18(14)28-15)13-6-4-3-5-7-13/h8,11,13H,3-7,9-10H2,1-2H3,(H,20,27)(H,21,26)/t11-/m1/s1
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| InChIKey |
OUVNZZJYHVYFKS-LLVKDONJSA-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