General Information of the Compound
| Compound ID |
CP0444196
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| Compound Name |
N'-[[(3R)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
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| Structure |
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| Formula |
C29H37N5
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| Molecular Weight |
455.65
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| Canonical SMILES |
NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccccn1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C29H37N5/c30-15-4-6-18-33(28-14-7-11-23-12-8-17-32-29(23)28)22-27-19-24-9-1-2-10-25(24)20-34(27)21-26-13-3-5-16-31-26/h1-3,5,8-10,12-13,16-17,27-28H,4,6-7,11,14-15,18-22,30H2/t27-,28+/m1/s1
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| InChIKey |
HJLXLTVQHZGORL-IZLXSDGUSA-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