General Information of the Compound
| Compound ID |
CP0155266
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| Compound Name |
US9206199, 145
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| Structure |
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| Formula |
C23H24N8O4
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| Molecular Weight |
476.497
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| Canonical SMILES |
O=C(Cc1cnc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1
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| InChI |
InChI=1S/C23H24N8O4/c32-21(7-15-9-24-23(25-10-15)31-14-26-27-28-31)30-5-4-29-12-20(35-13-18(29)11-30)17-1-2-19-16(8-17)3-6-34-22(19)33/h1-2,8-10,14,18,20H,3-7,11-13H2/t18-,20-/m0/s1
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| InChIKey |
RWFVBKWXMLSLID-ICSRJNTNSA-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