General Information of the Compound
| Compound ID |
CP0453811
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| Compound Name |
methyl 2-({[1-(5-{[(2S)-2-aminopropanamido]methyl}thiophen-3-yl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]formamido}methyl)benzoate
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| Structure |
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| Formula |
C22H22F3N5O4S
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| Molecular Weight |
509.51
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| Canonical SMILES |
COC(=O)c1ccccc1CNC(=O)c1cc(nn1-c1csc(CNC(=O)[C@H](C)N)c1)C(F)(F)F
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| InChI |
InChI=1S/C22H22F3N5O4S/c1-12(26)19(31)28-10-15-7-14(11-35-15)30-17(8-18(29-30)22(23,24)25)20(32)27-9-13-5-3-4-6-16(13)21(33)34-2/h3-8,11-12H,9-10,26H2,1-2H3,(H,27,32)(H,28,31)/t12-/m0/s1
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| InChIKey |
ULGCZPZZXNOQIK-LBPRGKRZSA-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