General Information of the Compound
| Compound ID |
CP0078517
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| Compound Name |
N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]benzamide
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| Structure |
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| Formula |
C24H29N5OS
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| Molecular Weight |
435.597
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| Canonical SMILES |
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cscn2)CC1)c1cccnc1
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| InChI |
InChI=1S/C24H29N5OS/c1-3-27(2)24(30)20-8-6-19(7-9-20)23(21-5-4-10-25-15-21)29-13-11-28(12-14-29)16-22-17-31-18-26-22/h4-10,15,17-18,23H,3,11-14,16H2,1-2H3/t23-/m1/s1
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| InChIKey |
DUTWTXOACRXDLB-HSZRJFAPSA-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