General Information of the Compound
| Compound ID |
CP0566592
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| Compound Name |
N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
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| Structure |
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| Formula |
C27H25N5O3S
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| Molecular Weight |
499.596
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| Canonical SMILES |
O=C(CCc1ccc(cc1)-c1cnc2[nH]ccc2c1)NCCNS(=O)(=O)c1cccc2cnccc12
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| InChI |
InChI=1S/C27H25N5O3S/c33-26(29-14-15-32-36(34,35)25-3-1-2-22-17-28-12-11-24(22)25)9-6-19-4-7-20(8-5-19)23-16-21-10-13-30-27(21)31-18-23/h1-5,7-8,10-13,16-18,32H,6,9,14-15H2,(H,29,33)(H,30,31)
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| InChIKey |
RUMUZHMWTQIHMP-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