General Information of the Compound
| Compound ID |
CP0649299
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| Compound Name |
3-(4-(1-(3-Nitrophenylsulfonyl)-1H-indole-3-carbonyl)piperazine-1-carbonyl)-4H-chromen-4-one
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| Structure |
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| Formula |
C29H22N4O8S
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| Molecular Weight |
586.582
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| Canonical SMILES |
O=C(c1coc2ccccc2c1=O)N1CCN(C(=O)c2cn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)CC1
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| InChI |
InChI=1S/C29H22N4O8S/c34-27-22-9-2-4-11-26(22)41-18-24(27)29(36)31-14-12-30(13-15-31)28(35)23-17-32(25-10-3-1-8-21(23)25)42(39,40)20-7-5-6-19(16-20)33(37)38/h1-11,16-18H,12-15H2
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| InChIKey |
UQOJNCHXJJXUKI-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