General Information of the Compound
| Compound ID |
CP0060176
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| Compound Name |
3-(7-chloro-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 |
C32H31ClN2O3
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| Molecular Weight |
527.064
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| Canonical SMILES |
Clc1ccc2c(c1)occ(-c1cccc(c1)C(=O)N[C@@H]1CCCc3cc(CN4CCCCC4)ccc13)c2=O
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| InChI |
InChI=1S/C32H31ClN2O3/c33-25-11-13-27-30(18-25)38-20-28(31(27)36)23-6-4-8-24(17-23)32(37)34-29-9-5-7-22-16-21(10-12-26(22)29)19-35-14-2-1-3-15-35/h4,6,8,10-13,16-18,20,29H,1-3,5,7,9,14-15,19H2,(H,34,37)/t29-/m1/s1
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| InChIKey |
SGNRLILGTPMHPX-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
Protein ID: PT01032, B1 bradykinin receptor
Protein ID: PT01986, B1 bradykinin receptor