General Information of the Compound
| Compound ID |
CP0252328
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| Compound Name |
N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-propan-2-yloxyphenyl]propane-2-sulfonamide
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| Structure |
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| Formula |
C27H35N5O3S
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| Molecular Weight |
509.676
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| Canonical SMILES |
CC(C)Oc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C27H35N5O3S/c1-18(2)35-25-14-21(13-23(16-25)31-36(33,34)19(3)4)26-15-22(17-30-27(26)28)20-5-7-24(8-6-20)32-11-9-29-10-12-32/h5-8,13-19,29,31H,9-12H2,1-4H3,(H2,28,30)
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| InChIKey |
RRNARHMPEAENRG-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