General Information of the Compound
| Compound ID |
CP0005464
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| Compound Name |
4-(4-(2-Chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihydropyrrolo[3,4-c]carbazol-6(1H)-yl)butanoic acid
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| Structure |
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| Formula |
C24H17ClN2O5
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| Molecular Weight |
448.862
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| Canonical SMILES |
OC(=O)CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
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| InChI |
InChI=1S/C24H17ClN2O5/c25-16-5-2-1-4-13(16)14-11-18-20(22-21(14)23(31)26-24(22)32)15-10-12(28)7-8-17(15)27(18)9-3-6-19(29)30/h1-2,4-5,7-8,10-11,28H,3,6,9H2,(H,29,30)(H,26,31,32)
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| InChIKey |
ATWQVWMVBKTFSI-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