General Information of the Compound
| Compound ID |
CP0472884
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| Compound Name |
N-methyl-4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]-N-[(1S,2R,3R,4S)-1,2,3,4,5-pentahydroxypentyl]benzamide
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| Structure |
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| Formula |
C29H37N3O6
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| Molecular Weight |
523.63
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| Canonical SMILES |
C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)N(C)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)c1cccc2ccccc12
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| InChI |
InChI=1S/C29H37N3O6/c1-18(23-9-5-7-19-6-3-4-8-24(19)23)30-21-14-15-32(16-21)22-12-10-20(11-13-22)28(37)31(2)29(38)27(36)26(35)25(34)17-33/h3-13,18,21,25-27,29-30,33-36,38H,14-17H2,1-2H3/t18-,21+,25+,26-,27-,29+/m1/s1
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| InChIKey |
LSXPGLOVELZLJZ-PJLSDSMISA-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