General Information of the Compound
| Compound ID |
CP0340178
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| Compound Name |
4-[(3R,4S)-3-(aminomethyl)-4-(5-chloropyridin-2-yl)sulfonyl-3-hydroxypyrrolidin-1-yl]sulfonyl-3-chlorobenzonitrile
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| Structure |
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| Formula |
C17H16Cl2N4O5S2
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| Molecular Weight |
491.378
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| Canonical SMILES |
NC[C@@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cn1)S(=O)(=O)c1ccc(cc1Cl)C#N
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| InChI |
InChI=1S/C17H16Cl2N4O5S2/c18-12-2-4-16(22-7-12)29(25,26)15-8-23(10-17(15,24)9-21)30(27,28)14-3-1-11(6-20)5-13(14)19/h1-5,7,15,24H,8-10,21H2/t15-,17+/m0/s1
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| InChIKey |
WLVZWRUVPREQAW-DOTOQJQBSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT03081, Transient receptor potential cation channel subfamily V member 4
Protein ID: PT04567, Transient receptor potential cation channel subfamily V member 4