General Information of the Compound
| Compound ID |
CP0387864
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| Compound Name |
N'-[[(3R)-2-methyl-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 |
C24H34N4
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| Molecular Weight |
378.564
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| Canonical SMILES |
CN1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C24H34N4/c1-27-17-21-9-3-2-8-20(21)16-22(27)18-28(15-5-4-13-25)23-12-6-10-19-11-7-14-26-24(19)23/h2-3,7-9,11,14,22-23H,4-6,10,12-13,15-18,25H2,1H3/t22-,23+/m1/s1
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| InChIKey |
IJNWUQIMILTCRR-PKTZIBPZSA-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