General Information of the Compound
| Compound ID |
CP0962033
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| Compound Name |
N-cyclohexyl-5-(1-(oxetan-3-yl)-1H-indol-5-yl)benzo[d]oxazol-2-amine
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| Structure |
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| Formula |
C24H25N3O2
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| Molecular Weight |
387.483
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| Canonical SMILES |
c1cc2c(ccn2C2COC2)cc1-c1ccc2oc(NC3CCCCC3)nc2c1
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| InChI |
InChI=1S/C24H25N3O2/c1-2-4-19(5-3-1)25-24-26-21-13-17(7-9-23(21)29-24)16-6-8-22-18(12-16)10-11-27(22)20-14-28-15-20/h6-13,19-20H,1-5,14-15H2,(H,25,26)
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| InChIKey |
ATNLCKBJTFOCRR-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