General Information of the Compound
| Compound ID |
CP0484284
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| Compound Name |
2-aminobenzoxazole, 37
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| Structure |
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| Formula |
C26H26Cl2N6O3
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| Molecular Weight |
541.439
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| Canonical SMILES |
CNC(=O)c1cc(Oc2cc(Cl)c3oc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)nc3c2)ccn1
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| InChI |
InChI=1S/C26H26Cl2N6O3/c1-29-25(35)23-13-18(5-6-30-23)36-19-12-21(28)24-22(14-19)32-26(37-24)31-17-3-4-20(27)16(11-17)15-34-9-7-33(2)8-10-34/h3-6,11-14H,7-10,15H2,1-2H3,(H,29,35)(H,31,32)
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| InChIKey |
ABWJVVCPMHFSTN-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