General Information of the Compound
| Compound ID |
CP0512880
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| Compound Name |
US9481682, 70
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| Structure |
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| Formula |
C34H30F3N7O3
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| Molecular Weight |
641.654
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3OCc3ccccc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C34H30F3N7O3/c35-34(36,37)23-12-13-39-27(17-23)41-33(46)21-7-10-25(26(16-21)47-19-20-4-2-1-3-5-20)29-30-31(38)40-14-15-43(30)32(42-29)22-6-8-24-9-11-28(45)44(24)18-22/h1-5,7,10,12-17,22,24H,6,8-9,11,18-19H2,(H2,38,40)(H,39,41,46)/t22-,24+/m1/s1
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| InChIKey |
UHUMYMFIVGBQOX-VWNXMTODSA-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