General Information of the Compound
| Compound ID |
CP0191791
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| Compound Name |
(+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N-(1-cyclopropylethyl)pyrimidin-2-amine
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| Structure |
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| Formula |
C24H31N5
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| Molecular Weight |
389.547
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| Canonical SMILES |
CC(Nc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1)C1CC1
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| InChI |
InChI=1S/C24H31N5/c1-17(18-8-9-18)27-24-25-12-10-22(28-24)20-5-4-13-29(16-20)14-11-19-15-26-23-7-3-2-6-21(19)23/h2-3,6-7,10,12,15,17-18,20,26H,4-5,8-9,11,13-14,16H2,1H3,(H,25,27,28)
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| InChIKey |
XYDGXBHPJFOPKP-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