General Information of the Compound
| Compound ID |
CP0386649
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| Compound Name |
US9340500, I-037
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| Structure |
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| Formula |
C30H34F3N3O3
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| Molecular Weight |
541.614
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| Canonical SMILES |
CCOC(=O)C1CC1CN(C)CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C30H34F3N3O3/c1-4-39-29(38)26-16-22(26)19-35(3)14-9-15-36-20(2)25(18-27(36)21-10-6-5-7-11-21)28(37)34-24-13-8-12-23(17-24)30(31,32)33/h5-8,10-13,17-18,22,26H,4,9,14-16,19H2,1-3H3,(H,34,37)
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| InChIKey |
DKICKOGBXHVOOK-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