General Information of the Compound
| Compound ID |
CP0533437
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| Compound Name |
N-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-3,4-dioxocyclobuten-1-yl]-4-methylbenzenesulfonamide
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| Structure |
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| Formula |
C23H22N2O4S
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| Molecular Weight |
422.506
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)Nc1c(Nc2c3CCCc3cc3CCCc23)c(=O)c1=O
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| InChI |
InChI=1S/C23H22N2O4S/c1-13-8-10-16(11-9-13)30(28,29)25-21-20(22(26)23(21)27)24-19-17-6-2-4-14(17)12-15-5-3-7-18(15)19/h8-12,24-25H,2-7H2,1H3
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| InChIKey |
BIBISPKXWVSUFV-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