General Information of the Compound
| Compound ID |
CP0567085
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| Compound Name |
US8772323, 224
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| Structure |
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| Formula |
C29H36N4O3
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| Molecular Weight |
488.632
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(O[C@@H]2CCCC[C@H]2N(CC)CC)cc1
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| InChI |
InChI=1S/C29H36N4O3/c1-4-19-18-27(34)31-32-28(19)21-13-16-23-26(17-21)36-29(30-23)20-11-14-22(15-12-20)35-25-10-8-7-9-24(25)33(5-2)6-3/h11-17,19,24-25H,4-10,18H2,1-3H3,(H,31,34)/t19?,24-,25-/m1/s1
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| InChIKey |
RLIXOECIKGKKEW-UCAJRPBESA-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