General Information of the Compound
| Compound ID |
CP0559734
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| Compound Name |
US9206199, 26
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| Structure |
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| Formula |
C23H23N7O4
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| Molecular Weight |
461.482
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| Canonical SMILES |
O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1
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| InChI |
InChI=1S/C23H23N7O4/c31-22(7-15-1-4-21(24-9-15)30-14-25-26-27-30)29-6-5-28-11-20(33-13-18(28)10-29)16-2-3-19-17(8-16)12-34-23(19)32/h1-4,8-9,14,18,20H,5-7,10-13H2/t18-,20+/m0/s1
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| InChIKey |
STJWFAPRMODACD-AZUAARDMSA-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