General Information of the Compound
| Compound ID |
CP0354957
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| Compound Name |
[1-benzyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
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| Structure |
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| Formula |
C27H33N5O
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| Molecular Weight |
443.595
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| Canonical SMILES |
O=C(N1CCCCC1)c1nn(Cc2ccccc2)c2CCC(Cc12)NCCc1ccncc1
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| InChI |
InChI=1S/C27H33N5O/c33-27(31-17-5-2-6-18-31)26-24-19-23(29-16-13-21-11-14-28-15-12-21)9-10-25(24)32(30-26)20-22-7-3-1-4-8-22/h1,3-4,7-8,11-12,14-15,23,29H,2,5-6,9-10,13,16-20H2
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| InChIKey |
ZPJMFCCFWVLJLQ-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