General Information of the Compound
| Compound ID |
CP0549180
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| Compound Name |
trimethyl-[2-[[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzoyl]amino]ethyl]azanium;chloride
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| Structure |
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| Formula |
C28H37ClN4O
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| Molecular Weight |
481.084
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| Canonical SMILES |
[Cl-].C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCC[N+](C)(C)C)c1cccc2ccccc12
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| InChI |
InChI=1S/C28H36N4O.ClH/c1-21(26-11-7-9-22-8-5-6-10-27(22)26)30-24-16-18-31(20-24)25-14-12-23(13-15-25)28(33)29-17-19-32(2,3)4;/h5-15,21,24,30H,16-20H2,1-4H3;1H/t21-,24+;/m1./s1
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| InChIKey |
JWLBIIUYZPUQIT-WKDBURHASA-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