General Information of the Compound
| Compound ID |
CP0562669
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| Compound Name |
US8901315, 316
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| Structure |
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| Formula |
C20H27N5O3S
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| Molecular Weight |
417.535
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| Canonical SMILES |
CCN1C(=O)CN(CCNC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)C1=O
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| InChI |
InChI=1S/C20H27N5O3S/c1-3-24-17(26)12-23(20(24)28)10-9-21-18(27)16-11-15-13(2)22-25(19(15)29-16)14-7-5-4-6-8-14/h11,14H,3-10,12H2,1-2H3,(H,21,27)
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| InChIKey |
XHFZMYBILYSCIZ-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