General Information of the Compound
| Compound ID |
CP0512600
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| Compound Name |
US9422293, 374
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| Structure |
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| Formula |
C31H37F3N6OS
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| Molecular Weight |
598.739
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| Canonical SMILES |
CC1OCCC1Sc1nc2CCN(CCc2c(Nc2ccc3c(c2)N(C)CCC3(C)C)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C31H37F3N6OS/c1-19-26(11-17-41-19)42-29-37-24-10-15-40(28-23(31(32,33)34)6-5-13-35-28)14-9-21(24)27(38-29)36-20-7-8-22-25(18-20)39(4)16-12-30(22,2)3/h5-8,13,18-19,26H,9-12,14-17H2,1-4H3,(H,36,37,38)
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| InChIKey |
LLIMFUDFODAHAK-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: PT01914, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1