General Information of the Compound
| Compound ID |
CP0498078
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| Compound Name |
5''-chlorospiro[cyclohexane-1,4''-(1'',2'',3'',4''-tetrahydroquinazoline)]-2''-one
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| Structure |
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| Formula |
C13H15ClN2O
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| Molecular Weight |
250.729
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| Canonical SMILES |
Clc1cccc2NC(=O)NC3(CCCCC3)c12
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| InChI |
InChI=1S/C13H15ClN2O/c14-9-5-4-6-10-11(9)13(16-12(17)15-10)7-2-1-3-8-13/h4-6H,1-3,7-8H2,(H2,15,16,17)
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| InChIKey |
PAJJPEBXJKUKAU-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