General Information of the Compound
| Compound ID |
CP0515803
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| Compound Name |
Benzyl-butyl-[3-(6-dimethylamino-4-methyl-pyridin-3-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-amine
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| Structure |
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| Formula |
C27H34N6
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| Molecular Weight |
442.611
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| Canonical SMILES |
CCCCN(Cc1ccccc1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C
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| InChI |
InChI=1S/C27H34N6/c1-7-8-14-32(18-22-12-10-9-11-13-22)25-16-20(3)29-27-26(21(4)30-33(25)27)23-17-28-24(31(5)6)15-19(23)2/h9-13,15-17H,7-8,14,18H2,1-6H3
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| InChIKey |
CKKGEKVEVWVHDN-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