General Information of the Compound
| Compound ID |
CP0865070
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| Compound Name |
(S)-N-(((S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl)-N-(3-(4-methylpiperazin-1-yl)propyl)-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C28H41N5
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| Molecular Weight |
447.671
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| Canonical SMILES |
CN1CCN(CCCN(C[C@H]2Cc3ccccc3CN2C)[C@H]2CCCc3cccnc32)CC1
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| InChI |
InChI=1S/C28H41N5/c1-30-16-18-32(19-17-30)14-7-15-33(27-12-5-10-23-11-6-13-29-28(23)27)22-26-20-24-8-3-4-9-25(24)21-31(26)2/h3-4,6,8-9,11,13,26-27H,5,7,10,12,14-22H2,1-2H3/t26-,27+/m1/s1
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| InChIKey |
RHSXOHDQPQXKJI-SXOMAYOGSA-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