General Information of the Compound
| Compound ID |
CP0175191
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| Compound Name |
US8575201, 143
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| Structure |
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| Formula |
C25H29N9O2
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| Molecular Weight |
487.568
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| Canonical SMILES |
CN(C(=O)Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1)C(C)(C)C
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| InChI |
InChI=1S/C25H29N9O2/c1-24(2,3)33(4)20(35)15-34-14-17(12-30-34)21-31-22(32-36-21)25(8-5-9-25)18-6-7-19(27-13-18)16-10-28-23(26)29-11-16/h6-7,10-14H,5,8-9,15H2,1-4H3,(H2,26,28,29)
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| InChIKey |
HTELJZKEPOOTIK-UHFFFAOYSA-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