General Information of the Compound
| Compound ID |
CP0107156
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| Compound Name |
3-[4-[5-amino-1-(3-aminophenyl)indole-3-carbonyl]piperazine-1-carbonyl]chromen-4-one
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| Structure |
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| Formula |
C29H25N5O4
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| Molecular Weight |
507.55
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| Canonical SMILES |
Nc1cccc(c1)-n1cc(C(=O)N2CCN(CC2)C(=O)c2coc3ccccc3c2=O)c2cc(N)ccc12
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| InChI |
InChI=1S/C29H25N5O4/c30-18-4-3-5-20(14-18)34-16-23(22-15-19(31)8-9-25(22)34)28(36)32-10-12-33(13-11-32)29(37)24-17-38-26-7-2-1-6-21(26)27(24)35/h1-9,14-17H,10-13,30-31H2
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| InChIKey |
WLLNEKBMMNZWLO-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