General Information of the Compound
| Compound ID |
CP0549751
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| Compound Name |
2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(3-methylpyridin-2-yl)pyrrolidin-1-yl]methyl]pyrimidine
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| Structure |
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| Formula |
C21H30N6
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| Molecular Weight |
366.513
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| Canonical SMILES |
CN1CCN(CC1)c1cc(CN2CCC[C@H]2c2ncccc2C)nc(C)n1
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| InChI |
InChI=1S/C21H30N6/c1-16-6-4-8-22-21(16)19-7-5-9-27(19)15-18-14-20(24-17(2)23-18)26-12-10-25(3)11-13-26/h4,6,8,14,19H,5,7,9-13,15H2,1-3H3/t19-/m0/s1
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| InChIKey |
SJRFKTBEMQHUCF-IBGZPJMESA-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
Protein ID: PT02059, C-X-C chemokine receptor type 4
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2