General Information of the Compound
| Compound ID |
CP0489358
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| Compound Name |
4-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N-ethyl-benzamide
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| Structure |
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| Formula |
C26H35N3O2
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| Molecular Weight |
421.585
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| Canonical SMILES |
CCNC(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
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| InChI |
InChI=1S/C26H35N3O2/c1-6-15-28-17-20(4)29(18-19(28)3)25(23-9-8-10-24(16-23)31-5)21-11-13-22(14-12-21)26(30)27-7-2/h6,8-14,16,19-20,25H,1,7,15,17-18H2,2-5H3,(H,27,30)/t19-,20+,25-/m1/s1
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| InChIKey |
ILKRGFKOTHKFFT-OHUGHZGNSA-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