General Information of the Compound
| Compound ID |
CP0436728
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| Compound Name |
3-cyano-N-[(2S)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide
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| Structure |
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| Formula |
C21H23Cl2N3O4S
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| Molecular Weight |
484.405
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| Canonical SMILES |
O[C@H](CNS(=O)(=O)c1cccc(c1)C#N)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C21H23Cl2N3O4S/c22-20-5-4-18(11-21(20)23)30-17-6-8-26(9-7-17)14-16(27)13-25-31(28,29)19-3-1-2-15(10-19)12-24/h1-5,10-11,16-17,25,27H,6-9,13-14H2/t16-/m1/s1
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| InChIKey |
RHDOFWFMSRHNFN-MRXNPFEDSA-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: PT01215, C-C chemokine receptor type 3
Protein ID: PT01206, Histamine H1 receptor