General Information of the Compound
| Compound ID |
CP0363900
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| Compound Name |
3-[4-[1-(benzenesulfonyl)indole-3-carbonyl]piperazine-1-carbonyl]chromen-4-one
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| Structure |
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| Formula |
C29H23N3O6S
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| Molecular Weight |
541.585
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| Canonical SMILES |
O=C(N1CCN(CC1)C(=O)c1coc2ccccc2c1=O)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C29H23N3O6S/c33-27-22-11-5-7-13-26(22)38-19-24(27)29(35)31-16-14-30(15-17-31)28(34)23-18-32(25-12-6-4-10-21(23)25)39(36,37)20-8-2-1-3-9-20/h1-13,18-19H,14-17H2
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| InChIKey |
UCWKCLHVZCVSBA-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