General Information of the Compound
| Compound ID |
CP0505202
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| Compound Name |
2-{5-chloro-1'-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2,2',5'-trione}acetic acid
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| Structure |
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| Formula |
C19H15ClN4O5S
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| Molecular Weight |
446.872
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| Canonical SMILES |
OC(=O)CN1C(=O)C2(CC(=O)N(Cc3nnc(s3)C3CC3)C2=O)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C19H15ClN4O5S/c20-10-3-4-12-11(5-10)19(17(28)23(12)8-15(26)27)6-14(25)24(18(19)29)7-13-21-22-16(30-13)9-1-2-9/h3-5,9H,1-2,6-8H2,(H,26,27)
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| InChIKey |
XYEZXMQPLQMPRW-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