General Information of the Compound
| Compound ID |
CP0107154
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| Compound Name |
3-[4-[1-(3-aminophenyl)indole-3-carbonyl]piperazine-1-carbonyl]chromen-4-one
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| Structure |
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| Formula |
C29H24N4O4
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| Molecular Weight |
492.535
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| Canonical SMILES |
Nc1cccc(c1)-n1cc(C(=O)N2CCN(CC2)C(=O)c2coc3ccccc3c2=O)c2ccccc12
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| InChI |
InChI=1S/C29H24N4O4/c30-19-6-5-7-20(16-19)33-17-23(21-8-1-3-10-25(21)33)28(35)31-12-14-32(15-13-31)29(36)24-18-37-26-11-4-2-9-22(26)27(24)34/h1-11,16-18H,12-15,30H2
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| InChIKey |
LCADZHCUPJEXRE-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