General Information of the Compound
| Compound ID |
CP0292141
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| Compound Name |
4-(8-chloro-4-oxochromen-3-yl)-N-[(1S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
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| Structure |
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| Formula |
C32H31ClN2O3
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| Molecular Weight |
527.064
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| Canonical SMILES |
Clc1cccc2c1occ(-c1ccc(cc1)C(=O)N[C@H]1CCCc3cc(CN4CCCCC4)ccc13)c2=O
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| InChI |
InChI=1S/C32H31ClN2O3/c33-28-8-5-7-26-30(36)27(20-38-31(26)28)22-11-13-23(14-12-22)32(37)34-29-9-4-6-24-18-21(10-15-25(24)29)19-35-16-2-1-3-17-35/h5,7-8,10-15,18,20,29H,1-4,6,9,16-17,19H2,(H,34,37)/t29-/m0/s1
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| InChIKey |
WJLAQUPAQVIHHP-LJAQVGFWSA-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