General Information of the Compound
| Compound ID |
CP0899434
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| Compound Name |
US8901315, 349
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| Structure |
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| Formula |
C21H30N4O3S
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| Molecular Weight |
418.563
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| Canonical SMILES |
Cc1nn(C2CCOCC2)c2sc(C(=O)NC3CCC(C(=O)N(C)C)CC3)cc12
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| InChI |
InChI=1S/C21H30N4O3S/c1-13-17-12-18(29-21(17)25(23-13)16-8-10-28-11-9-16)19(26)22-15-6-4-14(5-7-15)20(27)24(2)3/h12,14-16H,4-11H2,1-3H3,(H,22,26)
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| InChIKey |
PHUZAERXXZIFFG-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