General Information of the Compound
| Compound ID |
CP0279310
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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-(piperazin-1-yl)thiophene-2-carboxamide
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| Structure |
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| Formula |
C27H29N7O3S
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| Molecular Weight |
531.642
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| Canonical SMILES |
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)N3CCNCC3)nc2c1
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| InChI |
InChI=1S/C27H29N7O3S/c1-32(26(37)18-5-3-2-4-6-18)19-7-8-21-20(17-19)30-27(34(21)14-11-23(28)35)31-25(36)22-9-10-24(38-22)33-15-12-29-13-16-33/h2-10,17,29H,11-16H2,1H3,(H2,28,35)(H,30,31,36)
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| InChIKey |
CABJCPPEBOXLNC-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