General Information of the Compound
| Compound ID |
CP0378908
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| Compound Name |
4-(1-Benzooxazol-6-ylmethyl-piperidin-4-ylamino)-6-chloro-chromen-2-one
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| Structure |
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| Formula |
C22H20ClN3O3
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| Molecular Weight |
409.873
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| Canonical SMILES |
Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5ncoc5c4)CC3)c2c1
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| InChI |
InChI=1S/C22H20ClN3O3/c23-15-2-4-20-17(10-15)19(11-22(27)29-20)25-16-5-7-26(8-6-16)12-14-1-3-18-21(9-14)28-13-24-18/h1-4,9-11,13,16,25H,5-8,12H2
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| InChIKey |
LYKCYSWDPGDWES-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