General Information of the Compound
| Compound ID |
CP0919894
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| Compound Name |
2-[4-(4-{5-(Dimethylamino)-1-naphthylsulfonyl}piperazin-1-yl)butyl]tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
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| Structure |
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| Formula |
C26H35N5O4S
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| Molecular Weight |
513.664
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| Canonical SMILES |
CN(C)c1cccc2c(S(=O)(=O)N3CCN(CCCCN4C(=O)C5CCCN5C4=O)CC3)cccc12
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| InChI |
InChI=1S/C26H35N5O4S/c1-27(2)22-10-5-9-21-20(22)8-6-12-24(21)36(34,35)29-18-16-28(17-19-29)13-3-4-14-31-25(32)23-11-7-15-30(23)26(31)33/h5-6,8-10,12,23H,3-4,7,11,13-19H2,1-2H3
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| InChIKey |
GPIKDAUJGXRSFU-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