General Information of the Compound
| Compound ID |
CP0468216
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| Compound Name |
US8906911, 65
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| Structure |
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| Formula |
C27H37F3N4O2
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| Molecular Weight |
506.613
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| Canonical SMILES |
CC[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccn1)C(F)(F)F
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| InChI |
InChI=1S/C27H37F3N4O2/c1-2-17-16-36-9-6-23(17)32-20-10-18-4-3-7-26(18,13-20)25(35)34-15-21-12-22(34)14-33(21)24-11-19(5-8-31-24)27(28,29)30/h5,8,11,17-18,20-23,32H,2-4,6-7,9-10,12-16H2,1H3/t17-,18-,20-,21+,22+,23+,26-/m1/s1
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| InChIKey |
GXVPQGOAOFFRJE-UVVSDCGDSA-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