General Information of the Compound
| Compound ID |
CP0657649
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| Compound Name |
3-(4-(5-Nitro-1-(3-nitrophenyl)-1H-indole-3-carbonyl)piperazine-1-carbonyl)-4H-chromen-4-one
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| Structure |
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| Formula |
C29H21N5O8
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| Molecular Weight |
567.514
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| Canonical SMILES |
O=C(c1coc2ccccc2c1=O)N1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)c3ccc([N+](=O)[O-])cc23)CC1
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| InChI |
InChI=1S/C29H21N5O8/c35-27-21-6-1-2-7-26(21)42-17-24(27)29(37)31-12-10-30(11-13-31)28(36)23-16-32(18-4-3-5-19(14-18)33(38)39)25-9-8-20(34(40)41)15-22(23)25/h1-9,14-17H,10-13H2
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| InChIKey |
UDBOGDNCUXGYAL-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