General Information of the Compound
| Compound ID |
CP0403126
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| Compound Name |
2-{5-chloro-1'-[(2E)-3-phenylprop-2-en-1-yl]-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2,2',5'-trione}acetic acid
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| Structure |
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| Formula |
C22H17ClN2O5
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| Molecular Weight |
424.84
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| Canonical SMILES |
OC(=O)CN1C(=O)C2(CC(=O)N(C\C=C\c3ccccc3)C2=O)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C22H17ClN2O5/c23-15-8-9-17-16(11-15)22(21(30)25(17)13-19(27)28)12-18(26)24(20(22)29)10-4-7-14-5-2-1-3-6-14/h1-9,11H,10,12-13H2,(H,27,28)/b7-4+
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| InChIKey |
KANZJDBAFHPYNR-QPJJXVBHSA-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