General Information of the Compound
| Compound ID |
CP0549010
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| Compound Name |
N-[4-(cyclopropylmethyl)piperazin-1-yl]-N-(pyrimidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C22H30N6
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| Molecular Weight |
378.524
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| Canonical SMILES |
C(C1CC1)N1CCN(CC1)N(Cc1ccncn1)C1CCCc2cccnc12
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| InChI |
InChI=1S/C22H30N6/c1-3-19-4-2-9-24-22(19)21(5-1)28(16-20-8-10-23-17-25-20)27-13-11-26(12-14-27)15-18-6-7-18/h2,4,8-10,17-18,21H,1,3,5-7,11-16H2
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| InChIKey |
IQOSLDBZNGOXDQ-UHFFFAOYSA-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