General Information of the Compound
| Compound ID |
CP0081818
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| Compound Name |
[5-(benzylamino)-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
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| Structure |
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| Formula |
C26H30N4O
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| Molecular Weight |
414.553
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| Canonical SMILES |
O=C(N1CCCCC1)c1nn(c2CCC(Cc12)NCc1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C26H30N4O/c31-26(29-16-8-3-9-17-29)25-23-18-21(27-19-20-10-4-1-5-11-20)14-15-24(23)30(28-25)22-12-6-2-7-13-22/h1-2,4-7,10-13,21,27H,3,8-9,14-19H2
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| InChIKey |
UOGQKLHZFYFSOV-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