General Information of the Compound
| Compound ID |
CP0412495
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| Compound Name |
(8S)-N-[[4-[(pyridin-2-ylmethylamino)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 |
C33H37N5
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| Molecular Weight |
503.694
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| Canonical SMILES |
C(NCc1ccccn1)c1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1
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| InChI |
InChI=1S/C33H37N5/c1-2-8-29-21-37-31(19-28(29)7-1)24-38(32-12-5-9-27-10-6-18-36-33(27)32)23-26-15-13-25(14-16-26)20-34-22-30-11-3-4-17-35-30/h1-4,6-8,10-11,13-18,31-32,34,37H,5,9,12,19-24H2/t31-,32+/m1/s1
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| InChIKey |
SIMHCJVBDXBOGC-ZWXJPIIXSA-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