General Information of the Compound
| Compound ID |
CP0386986
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| Compound Name |
[5-[2-(3-hydroxyphenyl)ethylamino]-1-phenyl-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 |
Oc1cccc(CCNC2CCc3c(C2)c(nn3-c2ccccc2)C(=O)N2CCCCC2)c1
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| InChI |
InChI=1S/C27H32N4O2/c32-23-11-7-8-20(18-23)14-15-28-21-12-13-25-24(19-21)26(27(33)30-16-5-2-6-17-30)29-31(25)22-9-3-1-4-10-22/h1,3-4,7-11,18,21,28,32H,2,5-6,12-17,19H2
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| InChIKey |
VTLIUVKSLLYGQP-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