General Information of the Compound
| Compound ID |
CP0579201
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| Compound Name |
1-[3-[(1R,3S)-3-[(2R)-2-butylpyrrolidine-1-carbonyl]cyclohexyl]phenyl]-5-cyclopropylpyrazole-4-carboxylic acid
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| Structure |
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| Formula |
C28H37N3O3
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| Molecular Weight |
463.622
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| Canonical SMILES |
CCCC[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H](C1)c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1
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| InChI |
InChI=1S/C28H37N3O3/c1-2-3-10-23-12-6-15-30(23)27(32)22-9-4-7-20(16-22)21-8-5-11-24(17-21)31-26(19-13-14-19)25(18-29-31)28(33)34/h5,8,11,17-20,22-23H,2-4,6-7,9-10,12-16H2,1H3,(H,33,34)/t20-,22+,23-/m1/s1
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| InChIKey |
UHBPMQISVQNVGD-AKIFATBCSA-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