General Information of the Compound
| Compound ID |
CP0466639
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| Compound Name |
US8906911, 27
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| Structure |
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| Formula |
C25H34F3N5O3
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| Molecular Weight |
509.573
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| Canonical SMILES |
CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(n1)C(F)(F)F
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| InChI |
InChI=1S/C25H34F3N5O3/c1-35-20-14-36-8-5-19(20)30-16-9-15-3-2-6-24(15,11-16)23(34)33-13-17-10-18(33)12-32(17)21-4-7-29-22(31-21)25(26,27)28/h4,7,15-20,30H,2-3,5-6,8-14H2,1H3/t15-,16-,17+,18+,19+,20-,24-/m1/s1
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| InChIKey |
VYECYXGJHTUACZ-LQOMHORXSA-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