General Information of the Compound
| Compound ID |
CP0402071
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| Compound Name |
2-[2,4-dichloro-3-[2-cyclopropyl-5-methyl-4-[1-(trifluoromethyl)cyclopropyl]imidazol-1-yl]phenyl]-2-azaspiro[3.3]heptane-6-carboxylic acid
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| Structure |
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| Formula |
C24H24Cl2F3N3O2
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| Molecular Weight |
514.375
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| Canonical SMILES |
Cc1c(nc(C2CC2)n1-c1c(Cl)ccc(N2CC3(CC(C3)C(O)=O)C2)c1Cl)C1(CC1)C(F)(F)F
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| InChI |
InChI=1S/C24H24Cl2F3N3O2/c1-12-19(23(6-7-23)24(27,28)29)30-20(13-2-3-13)32(12)18-15(25)4-5-16(17(18)26)31-10-22(11-31)8-14(9-22)21(33)34/h4-5,13-14H,2-3,6-11H2,1H3,(H,33,34)
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| InChIKey |
ATOAVZQFLCOJQE-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