General Information of the Compound
| Compound ID |
CP0507891
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| Compound Name |
US8906911, 64
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| Structure |
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| Formula |
C26H35F3N4O2
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| Molecular Weight |
492.586
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| Canonical SMILES |
C[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/C26H35F3N4O2/c1-16-15-35-8-5-22(16)31-19-9-17-3-2-6-25(17,12-19)24(34)33-14-20-11-21(33)13-32(20)23-10-18(4-7-30-23)26(27,28)29/h4,7,10,16-17,19-22,31H,2-3,5-6,8-9,11-15H2,1H3/t16-,17-,19-,20+,21+,22-,25-/m1/s1
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| InChIKey |
PQOVWDIJLRLJSN-VVBYYNAWSA-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