General Information of the Compound
| Compound ID |
CP0529935
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| Compound Name |
2-[(3R)-1-[(2S)-2-hydroxy-2-[4-[5-[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]piperidin-3-yl]acetic acid
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| Structure |
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| Formula |
C25H29F3N4O5
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| Molecular Weight |
522.524
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| Canonical SMILES |
CC(C)Cc1onc(-c2nc(no2)-c2ccc(cc2)[C@H](O)CN2CCC[C@H](CC(O)=O)C2)c1C(F)(F)F
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| InChI |
InChI=1S/C25H29F3N4O5/c1-14(2)10-19-21(25(26,27)28)22(30-36-19)24-29-23(31-37-24)17-7-5-16(6-8-17)18(33)13-32-9-3-4-15(12-32)11-20(34)35/h5-8,14-15,18,33H,3-4,9-13H2,1-2H3,(H,34,35)/t15-,18-/m1/s1
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| InChIKey |
JDPHPEUIQJNULE-CRAIPNDOSA-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