General Information of the Compound
| Compound ID |
CP0529887
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| Compound Name |
2-[5-chloro-1'-(1H-indol-3-ylmethyl)-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2,2',5'-trione]acetic acid
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| Structure |
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| Formula |
C22H16ClN3O5
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| Molecular Weight |
437.839
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| Canonical SMILES |
OC(=O)CN1C(=O)C2(CC(=O)N(Cc3c[nH]c4ccccc34)C2=O)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C22H16ClN3O5/c23-13-5-6-17-15(7-13)22(20(30)25(17)11-19(28)29)8-18(27)26(21(22)31)10-12-9-24-16-4-2-1-3-14(12)16/h1-7,9,24H,8,10-11H2,(H,28,29)
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| InChIKey |
NXGGINSWMFMGAF-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