General Information of the Compound
| Compound ID |
CP0043200
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| Compound Name |
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(piperidin-1-yl)thiophene-2-carboxamide
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| Structure |
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| Formula |
C28H30N6O3S
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| Molecular Weight |
530.654
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| Canonical SMILES |
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)N3CCCCC3)nc2c1
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| InChI |
InChI=1S/C28H30N6O3S/c1-32(27(37)19-8-4-2-5-9-19)20-10-11-22-21(18-20)30-28(34(22)17-14-24(29)35)31-26(36)23-12-13-25(38-23)33-15-6-3-7-16-33/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H2,29,35)(H,30,31,36)
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| InChIKey |
KZNSDERJTMKOHV-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