General Information of the Compound
| Compound ID |
CP0265488
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| Compound Name |
N-[(3S)-1-(4,7-diazabicyclo[4.3.0]nona-2,4,8,10-tetraen-8-ylmethyl)-2-oxo-pyrrolidin-3-yl]-7-thia-2-azabicyclo[4.3.0]nona-2,4,8,10-tetraene-8-sulfonamide
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| Structure |
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| Formula |
C19H17N5O3S2
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| Molecular Weight |
427.511
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| Canonical SMILES |
O=C1[C@H](CCN1Cc1cc2ccncc2[nH]1)NS(=O)(=O)c1cc2ncccc2s1
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| InChI |
InChI=1S/C19H17N5O3S2/c25-19-14(23-29(26,27)18-9-15-17(28-18)2-1-5-21-15)4-7-24(19)11-13-8-12-3-6-20-10-16(12)22-13/h1-3,5-6,8-10,14,22-23H,4,7,11H2/t14-/m0/s1
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| InChIKey |
PLXOQMHGHDZMSX-AWEZNQCLSA-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