General Information of the Compound
| Compound ID |
CP0899387
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| Compound Name |
US8901315, 247
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| Structure |
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| Formula |
C23H31N5O3S
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| Molecular Weight |
457.6
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCC(CN4C(=O)CNC4=O)CC3)cc12
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| InChI |
InChI=1S/C23H31N5O3S/c1-14-18-11-19(32-22(18)28(26-14)17-5-3-2-4-6-17)21(30)25-16-9-7-15(8-10-16)13-27-20(29)12-24-23(27)31/h11,15-17H,2-10,12-13H2,1H3,(H,24,31)(H,25,30)
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| InChIKey |
WSWDXQUYBDTYGO-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