General Information of the Compound
| Compound ID |
CP0518816
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| Compound Name |
N-[2-(dimethylamino)ethyl]-4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzenesulfonamide
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| Structure |
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| Formula |
C26H34N4O2S
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| Molecular Weight |
466.651
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| Canonical SMILES |
C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)S(=O)(=O)NCCN(C)C)c1cccc2ccccc12
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| InChI |
InChI=1S/C26H34N4O2S/c1-20(25-10-6-8-21-7-4-5-9-26(21)25)28-22-15-17-30(19-22)23-11-13-24(14-12-23)33(31,32)27-16-18-29(2)3/h4-14,20,22,27-28H,15-19H2,1-3H3/t20-,22+/m1/s1
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| InChIKey |
NIBNVKBNBRPMHY-IRLDBZIGSA-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