General Information of the Compound
| Compound ID |
CP0347674
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| Compound Name |
N-(cyclohexylmethyl)-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-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 |
C30H44N4
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| Molecular Weight |
460.71
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| Canonical SMILES |
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCCCC1
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| InChI |
InChI=1S/C30H44N4/c1-2-10-24(11-3-1)21-31-17-6-7-19-34(29-16-8-14-25-15-9-18-32-30(25)29)23-28-20-26-12-4-5-13-27(26)22-33-28/h4-5,9,12-13,15,18,24,28-29,31,33H,1-3,6-8,10-11,14,16-17,19-23H2/t28-,29+/m1/s1
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| InChIKey |
LGZXNSNDFUQXOX-WDYNHAJCSA-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