General Information of the Compound
| Compound ID |
CP0376056
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| Compound Name |
(S)-N-(1-(benzo[d][1,3]dioxol-5-ylmethyl)pyrrolidin-3-yl)-4-(thiophen-2-yl)benzamide
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| Structure |
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| Formula |
C23H22N2O3S
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| Molecular Weight |
406.507
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| Canonical SMILES |
O=C(N[C@H]1CCN(Cc2ccc3OCOc3c2)C1)c1ccc(cc1)-c1cccs1
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| InChI |
InChI=1S/C23H22N2O3S/c26-23(18-6-4-17(5-7-18)22-2-1-11-29-22)24-19-9-10-25(14-19)13-16-3-8-20-21(12-16)28-15-27-20/h1-8,11-12,19H,9-10,13-15H2,(H,24,26)/t19-/m0/s1
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| InChIKey |
HLYMHQWTEQNZLL-IBGZPJMESA-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