General Information of the Compound
| Compound ID |
CP0451935
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| Compound Name |
US9340500, I-035
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| Structure |
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| Formula |
C28H34F3N3O4
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| Molecular Weight |
533.591
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| Canonical SMILES |
CN(CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F)CC[C@H](O)[C@H](O)CO
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| InChI |
InChI=1S/C28H34F3N3O4/c1-19-23(27(38)32-22-11-6-10-21(16-22)28(29,30)31)17-24(20-8-4-3-5-9-20)34(19)14-7-13-33(2)15-12-25(36)26(37)18-35/h3-6,8-11,16-17,25-26,35-37H,7,12-15,18H2,1-2H3,(H,32,38)/t25-,26+/m0/s1
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| InChIKey |
SSKRMYZLCJDNQP-IZZNHLLZSA-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