General Information of the Compound
| Compound ID |
CP0464466
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| Compound Name |
US9062048, 47
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| Formula |
C30H35F3N6O3
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| Molecular Weight |
584.643
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| Canonical SMILES |
CCN([C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C30H35F3N6O3/c1-2-39(29(41)42-18-20-6-4-3-5-7-20)24-11-9-23(10-12-24)38-16-22(17-38)37-27(40)15-34-28-25-14-21(30(31,32)33)8-13-26(25)35-19-36-28/h3-8,13-14,19,22-24H,2,9-12,15-18H2,1H3,(H,37,40)(H,34,35,36)/t23-,24+
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| InChIKey |
PRGOUCVKEIYIOH-PSWAGMNNSA-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