General Information of the Compound
| Compound ID |
CP0499689
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| Compound Name |
5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-2-yl]pentanoic acid
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| Structure |
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| Formula |
C22H16F6N4O3
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| Molecular Weight |
498.383
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| Canonical SMILES |
OC(=O)CCCCn1cc2cc(ccc2n1)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C22H16F6N4O3/c23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)20-29-19(31-35-20)12-4-5-17-14(7-12)11-32(30-17)6-2-1-3-18(33)34/h4-5,7-11H,1-3,6H2,(H,33,34)
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| InChIKey |
CLACDVZURHZDSQ-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