General Information of the Compound
| Compound ID |
CP0667786
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| Compound Name |
(S)-N-(3-(piperazin-1yl)propyl)-N-(pyrimidin-2ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
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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 |
c1cnc(CN(CCCN2CCNCC2)[C@H]2CCCc3cccnc32)nc1
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| InChI |
InChI=1S/C21H30N6/c1-5-18-6-2-8-25-21(18)19(7-1)27(17-20-23-9-3-10-24-20)14-4-13-26-15-11-22-12-16-26/h2-3,6,8-10,19,22H,1,4-5,7,11-17H2/t19-/m0/s1
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| InChIKey |
OHPKTACRETYFKH-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