General Information of the Compound
| Compound ID |
CP0933847
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| Compound Name |
3-{(4S,5S,6S)-3-[3-((E)-1-Amino-2-hydroxy-vinyl)-phenyl]-4-benzyl-5-hydroxy-2-oxo-6-phenethyl-tetrahydro-pyrimidin-1-yl}-N-hydroxy-benzamidine
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| Structure |
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| Formula |
C34H35N5O4
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| Molecular Weight |
577.685
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| Canonical SMILES |
N=C(NO)c1cccc(N2C(=O)N(c3cccc(/C(N)=C\O)c3)[C@@H](Cc3ccccc3)[C@@H](O)[C@@H]2CCc2ccccc2)c1
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| InChI |
InChI=1S/C34H35N5O4/c35-29(22-40)25-13-7-15-27(20-25)39-31(19-24-11-5-2-6-12-24)32(41)30(18-17-23-9-3-1-4-10-23)38(34(39)42)28-16-8-14-26(21-28)33(36)37-43/h1-16,20-22,30-32,40-41,43H,17-19,35H2,(H2,36,37)/b29-22+/t30-,31-,32-/m0/s1
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| InChIKey |
RSDCQRDGVPPDHN-VIKGXHKYSA-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