General Information of the Compound
| Compound ID |
CP0875937
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| Compound Name |
(S)-N-(2-(piperazin-1-yl)ethyl)-N-(((R)-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl)-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C25H35N5
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| Molecular Weight |
405.59
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| Canonical SMILES |
c1ccc2c(c1)CN[C@@H](CN(CCN1CCNCC1)[C@H]1CCCc3cccnc31)C2
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| InChI |
InChI=1S/C25H35N5/c1-2-6-22-18-28-23(17-21(22)5-1)19-30(16-15-29-13-11-26-12-14-29)24-9-3-7-20-8-4-10-27-25(20)24/h1-2,4-6,8,10,23-24,26,28H,3,7,9,11-19H2/t23-,24+/m1/s1
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| InChIKey |
AMPPLOLYNDRLLH-RPWUZVMVSA-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