General Information of the Compound
| Compound ID |
CP0273272
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| Compound Name |
N',N'-bis(pyridin-2-ylmethyl)-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 |
C35H42N6
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| Molecular Weight |
546.763
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| Canonical SMILES |
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CN(Cc1ccccn1)Cc1ccccn1
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| InChI |
InChI=1S/C35H42N6/c1-2-12-30-24-39-33(23-29(30)11-1)27-41(34-17-9-13-28-14-10-20-38-35(28)34)22-8-7-21-40(25-31-15-3-5-18-36-31)26-32-16-4-6-19-37-32/h1-6,10-12,14-16,18-20,33-34,39H,7-9,13,17,21-27H2/t33-,34+/m1/s1
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| InChIKey |
FODFMARAGBOYGZ-NOCHOARKSA-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