General Information of the Compound
| Compound ID |
CP0380832
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| Compound Name |
N-[2-(dimethylamino)ethyl]-2-[[3,3-diphenylpropyl(2-morpholin-4-ylethyl)carbamoyl]amino]-1,3-benzothiazole-6-carboxamide
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| Structure |
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| Formula |
C34H42N6O3S
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| Molecular Weight |
614.816
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| Canonical SMILES |
CN(C)CCNC(=O)c1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)sc2c1
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| InChI |
InChI=1S/C34H42N6O3S/c1-38(2)18-16-35-32(41)28-13-14-30-31(25-28)44-33(36-30)37-34(42)40(20-19-39-21-23-43-24-22-39)17-15-29(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-14,25,29H,15-24H2,1-2H3,(H,35,41)(H,36,37,42)
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| InChIKey |
WPOWJOWVTRSEKV-UHFFFAOYSA-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