General Information of the Compound
| Compound ID |
CP0513362
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| Compound Name |
US9434725, 283
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| Structure |
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| Formula |
C24H27N9O
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| Molecular Weight |
457.542
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| Canonical SMILES |
O[C@H]1CCC[C@@H]1Nc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNCC1
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| InChI |
InChI=1S/C24H27N9O/c34-21-4-1-3-17(21)29-22-15-26-14-19(30-22)18-11-20-16(12-27-18)13-28-33(20)24-6-2-5-23(31-24)32-9-7-25-8-10-32/h2,5-6,11-15,17,21,25,34H,1,3-4,7-10H2,(H,29,30)/t17-,21-/m0/s1
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| InChIKey |
KEENMEQOTGVAOA-UWJYYQICSA-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