General Information of the Compound
| Compound ID |
CP0428816
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| Compound Name |
US9481682, 56
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| Structure |
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| Formula |
C27H26F3N7O2
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| Molecular Weight |
537.546
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H]2COCCN2C1
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| InChI |
InChI=1S/C27H26F3N7O2/c28-27(29,30)19-7-8-32-21(13-19)34-26(38)17-3-1-16(2-4-17)22-23-24(31)33-9-10-37(23)25(35-22)18-5-6-20-15-39-12-11-36(20)14-18/h1-4,7-10,13,18,20H,5-6,11-12,14-15H2,(H2,31,33)(H,32,34,38)/t18-,20+/m0/s1
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| InChIKey |
FSSSLMDBWPTDGR-AZUAARDMSA-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