General Information of the Compound
| Compound ID |
CP0848616
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| Compound Name |
(2R)-2-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydrochromen-4-one
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| Structure |
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| Formula |
C21H24N2O2
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| Molecular Weight |
336.435
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| Canonical SMILES |
O=C1C[C@H](CN2CCN(Cc3ccccc3)CC2)Oc2ccccc21
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| InChI |
InChI=1S/C21H24N2O2/c24-20-14-18(25-21-9-5-4-8-19(20)21)16-23-12-10-22(11-13-23)15-17-6-2-1-3-7-17/h1-9,18H,10-16H2/t18-/m1/s1
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| InChIKey |
KPYUOWNNFWAQHD-GOSISDBHSA-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