General Information of the Compound
| Compound ID |
CP0507360
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| Compound Name |
US9481682, 87
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| Structure |
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| Formula |
C27H26F3N7O
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| Molecular Weight |
521.547
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCCN2C1
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| InChI |
InChI=1S/C27H26F3N7O/c28-27(29,30)19-9-10-32-21(14-19)34-26(38)17-5-3-16(4-6-17)22-23-24(31)33-11-13-37(23)25(35-22)18-7-8-20-2-1-12-36(20)15-18/h3-6,9-11,13-14,18,20H,1-2,7-8,12,15H2,(H2,31,33)(H,32,34,38)/t18-,20-/m1/s1
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| InChIKey |
OSECUMVFQSYGEV-UYAOXDASSA-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