General Information of the Compound
| Compound ID |
CP0911959
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| Compound Name |
2-((S)-3-Hydroxymethyl-piperidin-1-yl)-benzo[h]chromen-4-one
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| Structure |
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| Formula |
C19H19NO3
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| Molecular Weight |
309.365
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| Canonical SMILES |
O=c1cc(N2CCC[C@H](CO)C2)oc2c1ccc1ccccc12
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| InChI |
InChI=1S/C19H19NO3/c21-12-13-4-3-9-20(11-13)18-10-17(22)16-8-7-14-5-1-2-6-15(14)19(16)23-18/h1-2,5-8,10,13,21H,3-4,9,11-12H2/t13-/m0/s1
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| InChIKey |
ABBPHLNNPGUYRC-ZDUSSCGKSA-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