General Information of the Compound
| Compound ID |
CP0341514
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| Compound Name |
5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-N-[2-(piperidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide
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| Structure |
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| Formula |
C22H26N6O3
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| Molecular Weight |
422.489
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| Canonical SMILES |
NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)C(=O)NCCN3CCCCC3)c2c1
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| InChI |
InChI=1S/C22H26N6O3/c23-22(31)26-15-4-5-19-17(11-15)18(21(30)27-19)12-16-10-14(13-25-16)20(29)24-6-9-28-7-2-1-3-8-28/h4-5,10-13,25H,1-3,6-9H2,(H,24,29)(H,27,30)(H3,23,26,31)/b18-12-
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| InChIKey |
RJJPYOHCKJYJPH-PDGQHHTCSA-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