General Information of the Compound
| Compound ID |
CP0487339
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| Compound Name |
N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C26H31N5O2
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| Molecular Weight |
445.567
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| Canonical SMILES |
CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(N)cc2)CC1
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| InChI |
InChI=1S/C26H31N5O2/c1-18(2)33-25-8-5-21(15-23(25)30-26(32)24-16-28-11-12-29-24)20-9-13-31(14-10-20)17-19-3-6-22(27)7-4-19/h3-8,11-12,15-16,18,20H,9-10,13-14,17,27H2,1-2H3,(H,30,32)
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| InChIKey |
CDFFPEKGYQQMHO-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