General Information of the Compound
| Compound ID |
CP0393624
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| Compound Name |
4-[(14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzoic acid
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| Structure |
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| Formula |
C22H19N3O4
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| Molecular Weight |
389.411
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| Canonical SMILES |
CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(O)=O)C1=O
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| InChI |
InChI=1S/C22H19N3O4/c1-23-20(26)16-11-24(22(23)29)12-18-19(16)15-4-2-3-5-17(15)25(18)10-13-6-8-14(9-7-13)21(27)28/h2-9,16H,10-12H2,1H3,(H,27,28)
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| InChIKey |
BKQLSORTDOFKMX-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