General Information of the Compound
| Compound ID |
CP0492991
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| Compound Name |
US9481682, 148
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| Structure |
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| Formula |
C32H33N7O3
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| Molecular Weight |
563.662
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3OC3CC3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C32H33N7O3/c33-30-29-28(37-31(38(29)14-13-35-30)21-3-5-22-6-10-27(40)39(22)17-21)24-9-4-20(15-25(24)42-23-7-8-23)32(41)36-26-16-19(11-12-34-26)18-1-2-18/h4,9,11-16,18,21-23H,1-3,5-8,10,17H2,(H2,33,35)(H,34,36,41)/t21-,22+/m1/s1
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| InChIKey |
FKTWFQUZHBOMCV-YADHBBJMSA-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