General Information of the Compound
| Compound ID |
CP0521283
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| Compound Name |
US9062048, 100
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| Formula |
C25H32F3N5O3
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| Molecular Weight |
507.557
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| Canonical SMILES |
CCC(OC(C)=O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C25H32F3N5O3/c1-3-22(36-15(2)34)16-4-7-19(8-5-16)33-12-18(13-33)32-23(35)11-29-24-20-10-17(25(26,27)28)6-9-21(20)30-14-31-24/h6,9-10,14,16,18-19,22H,3-5,7-8,11-13H2,1-2H3,(H,32,35)(H,29,30,31)/t16-,19+,22?
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| InChIKey |
VJOJOGRLUFZOIP-YNWFCRNISA-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