General Information of the Compound
| Compound ID |
CP0904009
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| Compound Name |
4-3-(((R)-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl)((S)-5,6,7,8-tetrahydroquinolin-8-yl)amino)propyl)piperazin-1-carboxamide
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| Structure |
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| Formula |
C27H38N6O
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| Molecular Weight |
462.642
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| Canonical SMILES |
NC(=O)N1CCN(CCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1
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| InChI |
InChI=1S/C27H38N6O/c28-27(34)32-16-14-31(15-17-32)12-5-13-33(25-10-3-8-21-9-4-11-29-26(21)25)20-24-18-22-6-1-2-7-23(22)19-30-24/h1-2,4,6-7,9,11,24-25,30H,3,5,8,10,12-20H2,(H2,28,34)/t24-,25+/m1/s1
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| InChIKey |
DLHXJDOQAMLZOO-RPBOFIJWSA-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