General Information of the Compound
| Compound ID |
CP0570022
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| Compound Name |
2-[5-(cyclopropylmethyl)-3-[4-fluoro-3-(2-propan-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]-4-[(3-fluoro-4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C32H34F2N6O4S2
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| Molecular Weight |
668.792
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| Canonical SMILES |
CC(C)N1CC2(C1)CN(C2)c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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| InChI |
InChI=1S/C32H34F2N6O4S2/c1-18(2)38-14-32(15-38)16-39(17-32)27-12-21(6-7-23(27)33)29-22(9-20-5-8-28(24(34)10-20)46(35,43)44)26(11-19-3-4-19)40(37-29)31-36-25(13-45-31)30(41)42/h5-8,10,12-13,18-19H,3-4,9,11,14-17H2,1-2H3,(H,41,42)(H2,35,43,44)
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| InChIKey |
ATTZHOSTJBBUDW-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