General Information of the Compound
| Compound ID |
CP0559466
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| Compound Name |
N-[2-[[(E)-3-(4-naphthalen-2-ylphenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide
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| Structure |
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| Formula |
C30H27N3O2S
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| Molecular Weight |
493.632
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| Canonical SMILES |
O=S(=O)(NCCNC\C=C\c1ccc(cc1)-c1ccc2ccccc2c1)c1cccc2cnccc12
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| InChI |
InChI=1S/C30H27N3O2S/c34-36(35,30-9-3-8-28-22-32-18-16-29(28)30)33-20-19-31-17-4-5-23-10-12-25(13-11-23)27-15-14-24-6-1-2-7-26(24)21-27/h1-16,18,21-22,31,33H,17,19-20H2/b5-4+
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| InChIKey |
RPOSIMUPVIWRSS-SNAWJCMRSA-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