General Information of the Compound
| Compound ID |
CP0575770
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| Compound Name |
4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzenesulfonamide
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| Structure |
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| Formula |
C22H25N3O2S
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| Molecular Weight |
395.528
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| Canonical SMILES |
C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)S(N)(=O)=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C22H25N3O2S/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)24-18-13-14-25(15-18)19-9-11-20(12-10-19)28(23,26)27/h2-12,16,18,24H,13-15H2,1H3,(H2,23,26,27)/t16-,18+/m1/s1
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| InChIKey |
VHEBWOMRMBCZCG-AEFFLSMTSA-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