General Information of the Compound
| Compound ID |
CP0531004
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| Compound Name |
N-methyl-N-[2-[methyl-[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide
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| Structure |
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| Formula |
C27H28N4O2S
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| Molecular Weight |
472.614
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| Canonical SMILES |
CN(CCN(C)S(=O)(=O)c1cccc2cnccc12)C\C=C\c1ccc(cc1)-c1cccnc1
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| InChI |
InChI=1S/C27H28N4O2S/c1-30(17-5-6-22-10-12-23(13-11-22)24-8-4-15-28-20-24)18-19-31(2)34(32,33)27-9-3-7-25-21-29-16-14-26(25)27/h3-16,20-21H,17-19H2,1-2H3/b6-5+
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| InChIKey |
UHLVNNIRDJVEMK-AATRIKPKSA-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