General Information of the Compound
| Compound ID |
CP0230830
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| Compound Name |
4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N-(3-methoxypropyl)pyrimidin-2-amine
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| Structure |
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| Formula |
C23H31N5O
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| Molecular Weight |
393.535
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| Canonical SMILES |
COCCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
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| InChI |
InChI=1S/C23H31N5O/c1-29-15-5-11-24-23-25-12-9-21(27-23)19-6-4-13-28(17-19)14-10-18-16-26-22-8-3-2-7-20(18)22/h2-3,7-9,12,16,19,26H,4-6,10-11,13-15,17H2,1H3,(H,24,25,27)
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| InChIKey |
FLDQILOFRRMABS-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