General Information of the Compound
| Compound ID |
CP0508931
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| Compound Name |
US9206164, 68
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| Structure |
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| Formula |
C27H32N4O2
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| Molecular Weight |
444.579
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| Canonical SMILES |
CCc1nn(Cc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(C)(C)C)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C27H32N4O2/c1-6-21-20(15-25(32)33)24(7-2)31(30-21)16-17-8-10-18(11-9-17)26-28-22-13-12-19(27(3,4)5)14-23(22)29-26/h8-14H,6-7,15-16H2,1-5H3,(H,28,29)(H,32,33)
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| InChIKey |
BXGWNPKIBNEYKQ-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