General Information of the Compound
| Compound ID |
CP0399023
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| Compound Name |
(3S)-3-(1-methyltetrazol-5-yl)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C23H20F3N5O3S
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| Molecular Weight |
503.506
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| Canonical SMILES |
Cc1nc(sc1COc1ccc(cc1)[C@H](CC(O)=O)c1nnnn1C)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C23H20F3N5O3S/c1-13-19(35-22(27-13)15-3-7-16(8-4-15)23(24,25)26)12-34-17-9-5-14(6-10-17)18(11-20(32)33)21-28-29-30-31(21)2/h3-10,18H,11-12H2,1-2H3,(H,32,33)/t18-/m0/s1
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| InChIKey |
NFNHWQWSKQIOKD-SFHVURJKSA-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