General Information of the Compound
| Compound ID |
CP0468840
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| Compound Name |
N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethyl]-4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide
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| Structure |
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| Formula |
C29H38N4O4
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| Molecular Weight |
506.647
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| Canonical SMILES |
C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCNC(CO)(CO)CO)c1cccc2ccccc12
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| InChI |
InChI=1S/C29H38N4O4/c1-21(26-8-4-6-22-5-2-3-7-27(22)26)32-24-13-16-33(17-24)25-11-9-23(10-12-25)28(37)30-14-15-31-29(18-34,19-35)20-36/h2-12,21,24,31-32,34-36H,13-20H2,1H3,(H,30,37)/t21-,24+/m1/s1
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| InChIKey |
PEZGIIPBJJMUFY-QPPBQGQZSA-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