General Information of the Compound
| Compound ID |
CP0409880
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| Compound Name |
2-[5-methoxy-3-methyl-1-[3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]pyrazol-4-yl]acetic acid
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| Structure |
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| Formula |
C23H23N3O4
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| Molecular Weight |
405.454
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| Canonical SMILES |
COc1c(CC(O)=O)c(C)nn1-c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1
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| InChI |
InChI=1S/C23H23N3O4/c1-14-18(13-21(27)28)23(30-2)26(25-14)17-10-6-9-16(11-17)24-22(29)20-12-19(20)15-7-4-3-5-8-15/h3-11,19-20H,12-13H2,1-2H3,(H,24,29)(H,27,28)/t19-,20+/m1/s1
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| InChIKey |
QSNPEKBNEFKQKU-UXHICEINSA-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