General Information of the Compound
| Compound ID |
CP0477716
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| Compound Name |
[1,3-bis(4-methylphenyl)pyrazol-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
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| Formula |
C28H35N5O
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| Molecular Weight |
457.622
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| Canonical SMILES |
Cc1ccc(cc1)-c1nn(cc1C(=O)N1CCN(CCN2CCCC2)CC1)-c1ccc(C)cc1
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| InChI |
InChI=1S/C28H35N5O/c1-22-5-9-24(10-6-22)27-26(21-33(29-27)25-11-7-23(2)8-12-25)28(34)32-19-17-31(18-20-32)16-15-30-13-3-4-14-30/h5-12,21H,3-4,13-20H2,1-2H3
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| InChIKey |
RVWKVJCXRUFDMH-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