General Information of the Compound
| Compound ID |
CP0158311
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| Compound Name |
3-(4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)pyrimidin-2-ylamino)propan-1-ol
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| Structure |
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| Formula |
C22H29N5O
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| Molecular Weight |
379.508
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| Canonical SMILES |
OCCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
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| InChI |
InChI=1S/C22H29N5O/c28-14-4-10-23-22-24-11-8-20(26-22)18-5-3-12-27(16-18)13-9-17-15-25-21-7-2-1-6-19(17)21/h1-2,6-8,11,15,18,25,28H,3-5,9-10,12-14,16H2,(H,23,24,26)
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| InChIKey |
ICPZFNKFNRZFTD-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