General Information of the Compound
| Compound ID |
CP0451530
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| Compound Name |
US9403810, 14
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| Structure |
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| Formula |
C24H36N4O5
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| Molecular Weight |
460.575
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| Canonical SMILES |
COC1CC(OC(C1)C(C)(C)C)c1onc(C(=O)Nc2c(C)n(C)n(C3CCC3)c2=O)c1C
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| InChI |
InChI=1S/C24H36N4O5/c1-13-19(22(29)25-20-14(2)27(6)28(23(20)30)15-9-8-10-15)26-33-21(13)17-11-16(31-7)12-18(32-17)24(3,4)5/h15-18H,8-12H2,1-7H3,(H,25,29)
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| InChIKey |
VGPBTPMZOFDBDS-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