General Information of the Compound
| Compound ID |
CP0573562
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| Compound Name |
N-[(4aS,5R,10bS)-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-yl]benzamide
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| Structure |
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| Formula |
C25H30N2O2
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| Molecular Weight |
390.527
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| Canonical SMILES |
O=C(Nc1ccc2N[C@H](C3CCCCC3)[C@@H]3CCCO[C@@H]3c2c1)c1ccccc1
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| InChI |
InChI=1S/C25H30N2O2/c28-25(18-10-5-2-6-11-18)26-19-13-14-22-21(16-19)24-20(12-7-15-29-24)23(27-22)17-8-3-1-4-9-17/h2,5-6,10-11,13-14,16-17,20,23-24,27H,1,3-4,7-9,12,15H2,(H,26,28)/t20-,23+,24-/m0/s1
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| InChIKey |
XTLJTMJVTYEXLV-ZTCOLXNVSA-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