General Information of the Compound
| Compound ID |
CP0516781
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| Compound Name |
US8906911, 53
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| Structure |
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| Formula |
C29H37F3N4O3
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| Molecular Weight |
546.634
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| Canonical SMILES |
CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccc1C#N)C(F)(F)F
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| InChI |
InChI=1S/C29H37F3N4O3/c1-34(24-7-9-39-17-26(24)38-2)21-10-19-4-3-8-28(19,13-21)27(37)36-16-22-12-23(36)15-35(22)25-11-20(29(30,31)32)6-5-18(25)14-33/h5-6,11,19,21-24,26H,3-4,7-10,12-13,15-17H2,1-2H3/t19-,21-,22+,23+,24+,26-,28-/m1/s1
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| InChIKey |
YPOAJRQGQGCJMH-LYDKOJGMSA-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