General Information of the Compound
| Compound ID |
CP0519905
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| Compound Name |
N'-[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]butane-1,4-diamine
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| Structure |
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| Formula |
C22H30N4O
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| Molecular Weight |
366.509
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| Canonical SMILES |
NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCOc2cccnc12
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| InChI |
InChI=1S/C22H30N4O/c23-10-3-4-12-26(20-9-13-27-21-8-5-11-24-22(20)21)16-19-14-17-6-1-2-7-18(17)15-25-19/h1-2,5-8,11,19-20,25H,3-4,9-10,12-16,23H2/t19-,20+/m1/s1
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| InChIKey |
CVDOOUAVJKFFGB-UXHICEINSA-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