General Information of the Compound
| Compound ID |
CP0421120
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| Compound Name |
[2-(4-hydroxyphenyl)-5-(2-phenylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
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| Structure |
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| Formula |
C27H32N4O2
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| Molecular Weight |
444.579
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| Canonical SMILES |
Oc1ccc(cc1)-n1nc2CCC(Cc2c1C(=O)N1CCCCC1)NCCc1ccccc1
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| InChI |
InChI=1S/C27H32N4O2/c32-23-12-10-22(11-13-23)31-26(27(33)30-17-5-2-6-18-30)24-19-21(9-14-25(24)29-31)28-16-15-20-7-3-1-4-8-20/h1,3-4,7-8,10-13,21,28,32H,2,5-6,9,14-19H2
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| InChIKey |
NKJRGQRURURYMH-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