General Information of the Compound
| Compound ID |
CP0547997
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| Compound Name |
N-[2-[(3,5-dichlorophenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
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| Structure |
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| Formula |
C24H22Cl2N4O3S
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| Molecular Weight |
517.438
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| Canonical SMILES |
Clc1cc(Cl)cc(c1)S(=O)(=O)NCCNC(=O)CCc1ccc(cc1)-c1cnc2[nH]ccc2c1
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| InChI |
InChI=1S/C24H22Cl2N4O3S/c25-20-12-21(26)14-22(13-20)34(32,33)30-10-9-27-23(31)6-3-16-1-4-17(5-2-16)19-11-18-7-8-28-24(18)29-15-19/h1-2,4-5,7-8,11-15,30H,3,6,9-10H2,(H,27,31)(H,28,29)
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| InChIKey |
PIIUWNKTVZSFKL-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