General Information of the Compound
| Compound ID |
CP0466866
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| Compound Name |
US9079906, 207
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| Formula |
C26H36N6O5
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| Molecular Weight |
512.611
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| Canonical SMILES |
CCNC(=O)c1nn2c(nn(CC(=O)c3cc(OCCO)c(OC)c(c3)C(C)(C)C)\c2=N/C)c(C)c1C
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| InChI |
InChI=1S/C26H36N6O5/c1-9-28-24(35)21-15(2)16(3)23-30-31(25(27-7)32(23)29-21)14-19(34)17-12-18(26(4,5)6)22(36-8)20(13-17)37-11-10-33/h12-13,33H,9-11,14H2,1-8H3,(H,28,35)/b27-25+
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| InChIKey |
DTOIUZALOKEHRY-IMVLJIQESA-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