General Information of the Compound
| Compound ID |
CP0424660
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| Compound Name |
2-[5'-chloro-1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methyl-2,2',5-trioxospiro[imidazolidine-4,3'-indole]-1'-yl]acetic acid
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| Structure |
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| Formula |
C29H22ClN5O5
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| Molecular Weight |
555.978
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| Canonical SMILES |
CN1C(=O)N(Cc2cn(nc2-c2ccccc2)-c2ccccc2)C(=O)C11C(=O)N(CC(O)=O)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C29H22ClN5O5/c1-32-28(40)34(27(39)29(32)22-14-20(30)12-13-23(22)33(26(29)38)17-24(36)37)15-19-16-35(21-10-6-3-7-11-21)31-25(19)18-8-4-2-5-9-18/h2-14,16H,15,17H2,1H3,(H,36,37)
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| InChIKey |
WMAXVBKMLAKWKZ-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