General Information of the Compound
| Compound ID |
CP0510400
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| Compound Name |
2-aminobenzoxazole, 38
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| Structure |
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| Formula |
C28H25Cl2N5O2
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| Molecular Weight |
534.447
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| Canonical SMILES |
CN1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc6ccccc56)cc(Cl)c4o3)ccc2Cl)CC1
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| InChI |
InChI=1S/C28H25Cl2N5O2/c1-34-10-12-35(13-11-34)17-18-14-19(6-7-22(18)29)32-28-33-25-16-20(15-23(30)27(25)37-28)36-26-8-9-31-24-5-3-2-4-21(24)26/h2-9,14-16H,10-13,17H2,1H3,(H,32,33)
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| InChIKey |
JPWMAVZTWDLRIZ-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