General Information of the Compound
| Compound ID |
CP0852868
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| Compound Name |
(S)-N-(3-(4-methylpiperazin-1-yl)propyl)-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 |
C27H39N5
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| Molecular Weight |
433.644
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| Canonical SMILES |
CN1CCN(CCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1
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| InChI |
InChI=1S/C27H39N5/c1-30-15-17-31(18-16-30)13-6-14-32(26-11-4-9-22-10-5-12-28-27(22)26)21-25-19-23-7-2-3-8-24(23)20-29-25/h2-3,5,7-8,10,12,25-26,29H,4,6,9,11,13-21H2,1H3/t25-,26+/m1/s1
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| InChIKey |
ZYQFBUDBCMFSCE-FTJBHMTQSA-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