General Information of the Compound
| Compound ID |
CP0521006
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| Compound Name |
N-[3-[6-(3-pyrrolidin-1-ylpropoxy)-1,3-benzoxazol-2-yl]phenyl]piperidin-4-amine
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| Structure |
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| Formula |
C25H32N4O2
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| Molecular Weight |
420.557
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| Canonical SMILES |
C(COc1ccc2nc(oc2c1)-c1cccc(NC2CCNCC2)c1)CN1CCCC1
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| InChI |
InChI=1S/C25H32N4O2/c1-2-14-29(13-1)15-4-16-30-22-7-8-23-24(18-22)31-25(28-23)19-5-3-6-21(17-19)27-20-9-11-26-12-10-20/h3,5-8,17-18,20,26-27H,1-2,4,9-16H2
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| InChIKey |
QPRXBCGQCAEWFW-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