General Information of the Compound
| Compound ID |
CP0490624
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| Compound Name |
1-(1,3-benzodioxol-5-yl)-N-[5-[4-(diethylamino)benzoyl]-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
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| Formula |
C31H29N3O4S
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| Molecular Weight |
539.657
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| Canonical SMILES |
CCN(CC)c1ccc(cc1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
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| InChI |
InChI=1S/C31H29N3O4S/c1-3-34(4-2)23-13-10-21(11-14-23)27(35)28-26(20-8-6-5-7-9-20)32-30(39-28)33-29(36)31(16-17-31)22-12-15-24-25(18-22)38-19-37-24/h5-15,18H,3-4,16-17,19H2,1-2H3,(H,32,33,36)
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| InChIKey |
ZBKKVPDHISEUIF-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