General Information of the Compound
| Compound ID |
CP0840066
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| Compound Name |
(S)-N-(3-(piperazin-1yl)propyl)-N-(((S)-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 |
C26H37N5
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| Molecular Weight |
419.617
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| Canonical SMILES |
c1ccc2c(c1)CN[C@H](CN(CCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2
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| InChI |
InChI=1S/C26H37N5/c1-2-7-23-19-29-24(18-22(23)6-1)20-31(15-5-14-30-16-12-27-13-17-30)25-10-3-8-21-9-4-11-28-26(21)25/h1-2,4,6-7,9,11,24-25,27,29H,3,5,8,10,12-20H2/t24-,25-/m0/s1
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| InChIKey |
SPZGRPOIKPGRQR-DQEYMECFSA-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