General Information of the Compound
| Compound ID |
CP0564950
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| Compound Name |
US8901315, 417
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| Formula |
C22H31N5O3S
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| Molecular Weight |
445.589
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| Canonical SMILES |
Cc1nn(C2CCOCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCNC(=O)C1
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| InChI |
InChI=1S/C22H31N5O3S/c1-14-18-12-19(31-22(18)27(25-14)17-6-10-30-11-7-17)21(29)24-15-2-4-16(5-3-15)26-9-8-23-20(28)13-26/h12,15-17H,2-11,13H2,1H3,(H,23,28)(H,24,29)/t15-,16-
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| InChIKey |
IBESFDAQKAOXNU-WKILWMFISA-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