General Information of the Compound
| Compound ID |
CP0378909
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| Compound Name |
6-Chloro-4-[1-(1H-indol-6-ylmethyl)-piperidin-4-ylamino]-chromen-2-one
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| Structure |
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| Formula |
C23H22ClN3O2
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| Molecular Weight |
407.901
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| Canonical SMILES |
Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5cc[nH]c5c4)CC3)c2c1
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| InChI |
InChI=1S/C23H22ClN3O2/c24-17-3-4-22-19(12-17)21(13-23(28)29-22)26-18-6-9-27(10-7-18)14-15-1-2-16-5-8-25-20(16)11-15/h1-5,8,11-13,18,25-26H,6-7,9-10,14H2
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| InChIKey |
UHHIJJVXGANMKZ-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