General Information of the Compound
| Compound ID |
CP0319471
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| Compound Name |
(8S)-N-[[4-[(oxan-4-ylamino)methyl]phenyl]methyl]-N-[[(3R)-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 |
C32H40N4O
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| Molecular Weight |
496.699
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| Canonical SMILES |
C(NC1CCOCC1)c1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1
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| InChI |
InChI=1S/C32H40N4O/c1-2-6-28-21-35-30(19-27(28)5-1)23-36(31-9-3-7-26-8-4-16-33-32(26)31)22-25-12-10-24(11-13-25)20-34-29-14-17-37-18-15-29/h1-2,4-6,8,10-13,16,29-31,34-35H,3,7,9,14-15,17-23H2/t30-,31+/m1/s1
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| InChIKey |
REMRQQHCGVYVPH-JSOSNVBQSA-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