General Information of the Compound
| Compound ID |
CP0217596
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| Compound Name |
N-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
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| Structure |
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| Formula |
C21H20N6O2S
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| Molecular Weight |
420.498
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| Canonical SMILES |
O=C(Nc1noc2ccccc12)N1CCCN(CC1)c1nc(ns1)-c1ccccc1
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| InChI |
InChI=1S/C21H20N6O2S/c28-20(22-19-16-9-4-5-10-17(16)29-24-19)26-11-6-12-27(14-13-26)21-23-18(25-30-21)15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,22,24,28)
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| InChIKey |
MQDPEPZXWZYTOC-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