General Information of the Compound
| Compound ID |
CP0494870
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| Compound Name |
US9340500, I-124
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| Structure |
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| Formula |
C25H35F3N4O
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| Molecular Weight |
464.576
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| Canonical SMILES |
CC(CCn1c(C)c(cc1C(C)(C)C)C(=O)Nc1cccc(c1)C(F)(F)F)N1CCNCC1
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| InChI |
InChI=1S/C25H35F3N4O/c1-17(31-13-10-29-11-14-31)9-12-32-18(2)21(16-22(32)24(3,4)5)23(33)30-20-8-6-7-19(15-20)25(26,27)28/h6-8,15-17,29H,9-14H2,1-5H3,(H,30,33)
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| InChIKey |
GOYMDZDJQSLTIE-UHFFFAOYSA-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