General Information of the Compound
| Compound ID |
CP0577660
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| Compound Name |
1-[3-[3-[bis(cyclopropylmethyl)carbamoyl]-2-fluorophenyl]phenyl]-5-cyclopropylpyrazole-4-carboxylic acid
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| Structure |
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| Formula |
C28H28FN3O3
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| Molecular Weight |
473.548
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| Canonical SMILES |
OC(=O)c1cnn(c1C1CC1)-c1cccc(c1)-c1cccc(C(=O)N(CC2CC2)CC2CC2)c1F
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| InChI |
InChI=1S/C28H28FN3O3/c29-25-22(5-2-6-23(25)27(33)31(15-17-7-8-17)16-18-9-10-18)20-3-1-4-21(13-20)32-26(19-11-12-19)24(14-30-32)28(34)35/h1-6,13-14,17-19H,7-12,15-16H2,(H,34,35)
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| InChIKey |
GJJUSQDRCXPJIG-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