General Information of the Compound
| Compound ID |
CP0574690
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| Compound Name |
US8772323, 189
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| Structure |
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| Formula |
C21H23N3O3
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| Molecular Weight |
365.433
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| Canonical SMILES |
CCC[C@@H]1[C@@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1cc(C)oc1C
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| InChI |
InChI=1S/C21H23N3O3/c1-5-6-15-12(3)19(23-24-20(15)25)14-7-8-17-18(10-14)27-21(22-17)16-9-11(2)26-13(16)4/h7-10,12,15H,5-6H2,1-4H3,(H,24,25)/t12-,15-/m1/s1
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| InChIKey |
UMFQZRZMBHNIPQ-IUODEOHRSA-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