General Information of the Compound
| Compound ID |
CP0468198
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| Compound Name |
US8901315, 196
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| Structure |
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| Formula |
C23H29N5O2S
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| Molecular Weight |
439.585
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCOCC4)c3s2)cc1
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| InChI |
InChI=1S/C23H29N5O2S/c1-16-20-15-21(31-23(20)28(25-16)19-7-13-30-14-8-19)22(29)24-17-3-5-18(6-4-17)27-11-9-26(2)10-12-27/h3-6,15,19H,7-14H2,1-2H3,(H,24,29)
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| InChIKey |
LQSXWPYLAFBHKN-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