General Information of the Compound
| Compound ID |
CP0570846
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| Compound Name |
US8975261, RR4
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| Structure |
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| Formula |
C25H28N4O3
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| Molecular Weight |
432.524
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| Canonical SMILES |
COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc2cccnc2cc1C1CCCN(C1)C(C)=O
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| InChI |
InChI=1S/C25H28N4O3/c1-16(30)29-10-4-5-17(14-29)21-12-24-23(6-3-9-26-24)28-25(21)32-15-18-11-20(18)22-8-7-19(31-2)13-27-22/h3,6-9,12-13,17-18,20H,4-5,10-11,14-15H2,1-2H3/t17?,18-,20+/m1/s1
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| InChIKey |
KDJBOXFYCVDLKX-FLXSOZOKSA-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