General Information of the Compound
| Compound ID |
CP0465920
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| Compound Name |
US9481682, 180
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| Structure |
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| Formula |
C30H31F3N8O2
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| Molecular Weight |
592.626
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(n(n3)C3CCCC3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C30H31F3N8O2/c31-30(32,33)22-15-23(38-41(22)21-3-1-2-4-21)36-29(43)18-7-5-17(6-8-18)25-26-27(34)35-13-14-39(26)28(37-25)19-9-10-20-11-12-24(42)40(20)16-19/h5-8,13-15,19-21H,1-4,9-12,16H2,(H2,34,35)(H,36,38,43)/t19-,20+/m1/s1
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| InChIKey |
BFUUIRXFTMAMQQ-UXHICEINSA-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