General Information of the Compound
| Compound ID |
CP0542921
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| Compound Name |
(R)-(1-(4-(2-methyl-4-(2-(pyridin-4-yl)ethyl)piperazin-1-ylsulfonyl)phenyl)cyclopropyl)methanol
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| Structure |
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| Formula |
C22H29N3O3S
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| Molecular Weight |
415.559
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| Canonical SMILES |
C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C1(CO)CC1
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| InChI |
InChI=1S/C22H29N3O3S/c1-18-16-24(13-8-19-6-11-23-12-7-19)14-15-25(18)29(27,28)21-4-2-20(3-5-21)22(17-26)9-10-22/h2-7,11-12,18,26H,8-10,13-17H2,1H3/t18-/m1/s1
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| InChIKey |
HWVGRXNBCKXTCV-GOSISDBHSA-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