General Information of the Compound
| Compound ID |
CP0529722
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| Compound Name |
2-aminobenzoxazole, 33
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| Structure |
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| Formula |
C24H26ClN7O2
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| Molecular Weight |
479.972
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| Canonical SMILES |
CNc1cc(Oc2ccc3oc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)nc3c2)ncn1
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| InChI |
InChI=1S/C24H26ClN7O2/c1-26-22-13-23(28-15-27-22)33-18-4-6-21-20(12-18)30-24(34-21)29-17-3-5-19(25)16(11-17)14-32-9-7-31(2)8-10-32/h3-6,11-13,15H,7-10,14H2,1-2H3,(H,29,30)(H,26,27,28)
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| InChIKey |
FKHQZLPZYPUSEY-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