General Information of the Compound
| Compound ID |
CP0507885
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| Compound Name |
US9079906, 197
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| Structure |
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| Formula |
C27H39N5O5
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| Molecular Weight |
513.639
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| Canonical SMILES |
CCOc1nn2c(nn(CC(=O)c3cc(OCCCO)c(OC)c(c3)C(C)(C)C)c2=N)c(CC)c1CC
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| InChI |
InChI=1S/C27H39N5O5/c1-8-18-19(9-2)25(36-10-3)30-32-24(18)29-31(26(32)28)16-21(34)17-14-20(27(4,5)6)23(35-7)22(15-17)37-13-11-12-33/h14-15,28,33H,8-13,16H2,1-7H3
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| InChIKey |
MGFHFSQFCYLWGU-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