General Information of the Compound
| Compound ID |
CP0515866
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| Compound Name |
US9422293, 328
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| Structure |
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| Formula |
C30H35F3N6O
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| Molecular Weight |
552.645
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| Canonical SMILES |
CN1CCCc2ccc(Nc3nc(OC4CCCCC4)nc4CCN(CCc34)c3ncccc3C(F)(F)F)cc12
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| InChI |
InChI=1S/C30H35F3N6O/c1-38-16-6-7-20-11-12-21(19-26(20)38)35-27-23-13-17-39(28-24(30(31,32)33)10-5-15-34-28)18-14-25(23)36-29(37-27)40-22-8-3-2-4-9-22/h5,10-12,15,19,22H,2-4,6-9,13-14,16-18H2,1H3,(H,35,36,37)
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| InChIKey |
IQVJQEFNYKYIJD-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
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1