General Information of the Compound
| Compound ID |
CP0449851
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| Compound Name |
5-[3-(diethylaminomethyl)-1-octylindol-5-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C25H37N5
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| Molecular Weight |
407.606
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| Canonical SMILES |
CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1cnc(N)nc1
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| InChI |
InChI=1S/C25H37N5/c1-4-7-8-9-10-11-14-30-19-22(18-29(5-2)6-3)23-15-20(12-13-24(23)30)21-16-27-25(26)28-17-21/h12-13,15-17,19H,4-11,14,18H2,1-3H3,(H2,26,27,28)
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| InChIKey |
HKAUEDVXIIXVGY-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