General Information of the Compound
| Compound ID |
CP0549873
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| Compound Name |
US9139585, 12
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| Structure |
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| Formula |
C24H25N7O4
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| Molecular Weight |
475.509
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1[C@H]2CC[C@@H]1CN(C2)C(=O)c1ccc(nc1)-n1cnnn1
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| InChI |
InChI=1S/C24H25N7O4/c1-14-18(5-6-19-20(14)12-35-24(19)34)21(32)11-30-16-3-4-17(30)10-29(9-16)23(33)15-2-7-22(25-8-15)31-13-26-27-28-31/h2,5-8,13,16-17,21,32H,3-4,9-12H2,1H3/t16-,17+,21-/m0/s1
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| InChIKey |
ZYPLOYHOVWZTFE-FVJLSDCUSA-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