General Information of the Compound
| Compound ID |
CP0574551
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| Compound Name |
5-cyclopropyl-1-[3-[(1R,3S)-3-(piperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid
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| Structure |
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| Formula |
C25H31N3O3
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| Molecular Weight |
421.541
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| Canonical SMILES |
OC(=O)c1cnn(c1C1CC1)-c1cccc(c1)[C@@H]1CCC[C@@H](C1)C(=O)N1CCCCC1
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| InChI |
InChI=1S/C25H31N3O3/c29-24(27-12-2-1-3-13-27)20-8-4-6-18(14-20)19-7-5-9-21(15-19)28-23(17-10-11-17)22(16-26-28)25(30)31/h5,7,9,15-18,20H,1-4,6,8,10-14H2,(H,30,31)/t18-,20+/m1/s1
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| InChIKey |
KFMAODZLDUERIC-QUCCMNQESA-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