General Information of the Compound
| Compound ID |
CP0414927
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| Compound Name |
(R)-4-((1-(4-(2-methyl-4-(2-(pyridin-4-yl)ethyl)piperazin-1-ylsulfonyl)phenyl)cyclopropyl)methyl)morpholine
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| Structure |
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| Formula |
C26H36N4O3S
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| Molecular Weight |
484.666
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| Canonical SMILES |
C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C1(CN2CCOCC2)CC1
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| InChI |
InChI=1S/C26H36N4O3S/c1-22-20-28(13-8-23-6-11-27-12-7-23)14-15-30(22)34(31,32)25-4-2-24(3-5-25)26(9-10-26)21-29-16-18-33-19-17-29/h2-7,11-12,22H,8-10,13-21H2,1H3/t22-/m1/s1
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| InChIKey |
ZCTFCIROSWFYBV-JOCHJYFZSA-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