General Information of the Compound
| Compound ID |
CP0380327
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| Compound Name |
4-[1-(2-fluorophenyl)indazol-4-yl]-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one
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| Structure |
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| Formula |
C23H23F2N5O2
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| Molecular Weight |
439.466
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| Canonical SMILES |
F[C@H]1CCN(C1)C(=O)CN1CCN(CC1=O)c1cccc2n(ncc12)-c1ccccc1F
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| InChI |
InChI=1S/C23H23F2N5O2/c24-16-8-9-28(13-16)23(32)15-29-11-10-27(14-22(29)31)19-6-3-7-20-17(19)12-26-30(20)21-5-2-1-4-18(21)25/h1-7,12,16H,8-11,13-15H2/t16-/m0/s1
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| InChIKey |
SYLLWFIHDZDGIO-INIZCTEOSA-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: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha