General Information of the Compound
| Compound ID |
CP0391730
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| Compound Name |
2-[[(2R,4R)-1-(naphthalene-2-carbonyl)-4-phenylmethoxypyrrolidin-2-yl]methyl]guanidine
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| Structure |
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| Formula |
C24H26N4O2
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| Molecular Weight |
402.498
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| Canonical SMILES |
NC(N)=NC[C@H]1C[C@H](CN1C(=O)c1ccc2ccccc2c1)OCc1ccccc1
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| InChI |
InChI=1S/C24H26N4O2/c25-24(26)27-14-21-13-22(30-16-17-6-2-1-3-7-17)15-28(21)23(29)20-11-10-18-8-4-5-9-19(18)12-20/h1-12,21-22H,13-16H2,(H4,25,26,27)/t21-,22-/m1/s1
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| InChIKey |
WXZODWDNBILIOB-FGZHOGPDSA-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