General Information of the Compound
| Compound ID |
CP0495084
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| Compound Name |
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide
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| Structure |
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| Formula |
C27H33N3O4
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| Molecular Weight |
463.578
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| Canonical SMILES |
C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NC(CO)(CO)CO)c1cccc2ccccc12
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| InChI |
InChI=1S/C27H33N3O4/c1-19(24-8-4-6-20-5-2-3-7-25(20)24)28-22-13-14-30(15-22)23-11-9-21(10-12-23)26(34)29-27(16-31,17-32)18-33/h2-12,19,22,28,31-33H,13-18H2,1H3,(H,29,34)/t19-,22+/m1/s1
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| InChIKey |
CFMWTEJRQXWYKT-KNQAVFIVSA-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