General Information of the Compound
| Compound ID |
CP0100164
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| Compound Name |
3-(4-oxochromen-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
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| Structure |
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| Formula |
C32H32N2O3
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| Molecular Weight |
492.619
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| Canonical SMILES |
O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)c1cccc(c1)-c1coc2ccccc2c1=O
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| InChI |
InChI=1S/C32H32N2O3/c35-31-27-11-2-3-13-30(27)37-21-28(31)24-8-6-10-25(19-24)32(36)33-29-12-7-9-23-18-22(14-15-26(23)29)20-34-16-4-1-5-17-34/h2-3,6,8,10-11,13-15,18-19,21,29H,1,4-5,7,9,12,16-17,20H2,(H,33,36)/t29-/m1/s1
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| InChIKey |
DIWJGBFGFDDTTQ-GDLZYMKVSA-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