General Information of the Compound
| Compound ID |
CP0490626
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| Compound Name |
1-(1,3-benzodioxol-5-yl)-N-[4-phenyl-5-(4-pyrrolidin-1-ylbenzoyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
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| Formula |
C31H27N3O4S
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| Molecular Weight |
537.641
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| Canonical SMILES |
O=C(Nc1nc(c(s1)C(=O)c1ccc(cc1)N1CCCC1)-c1ccccc1)C1(CC1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C31H27N3O4S/c35-27(21-8-11-23(12-9-21)34-16-4-5-17-34)28-26(20-6-2-1-3-7-20)32-30(39-28)33-29(36)31(14-15-31)22-10-13-24-25(18-22)38-19-37-24/h1-3,6-13,18H,4-5,14-17,19H2,(H,32,33,36)
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| InChIKey |
MEGAEERTOWNKHC-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