General Information of the Compound
| Compound ID |
CP0513615
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| Compound Name |
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-pyridin-2-ylethenyl]sulfonylurea
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| Structure |
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| Formula |
C20H21N3O3S
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| Molecular Weight |
383.473
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| Canonical SMILES |
O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=O)\C=C\c1ccccn1
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| InChI |
InChI=1S/C20H21N3O3S/c24-20(23-27(25,26)12-10-16-7-1-2-11-21-16)22-19-17-8-3-5-14(17)13-15-6-4-9-18(15)19/h1-2,7,10-13H,3-6,8-9H2,(H2,22,23,24)/b12-10+
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| InChIKey |
DMRMAAFXWJCCEI-ZRDIBKRKSA-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