General Information of the Compound
| Compound ID |
CP0541747
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| Compound Name |
(4S,5S,6S)-1,3-bis(3-amino-4-fluorophenyl)-4-benzyl-5-hydroxy-6-(2-phenylethyl)-1,3-diazinan-2-one
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| Structure |
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| Formula |
C31H30F2N4O2
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| Molecular Weight |
528.603
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| Canonical SMILES |
Nc1cc(ccc1F)N1[C@@H](CCc2ccccc2)[C@H](O)[C@H](Cc2ccccc2)N(C1=O)c1ccc(F)c(N)c1
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| InChI |
InChI=1S/C31H30F2N4O2/c32-24-14-12-22(18-26(24)34)36-28(16-11-20-7-3-1-4-8-20)30(38)29(17-21-9-5-2-6-10-21)37(31(36)39)23-13-15-25(33)27(35)19-23/h1-10,12-15,18-19,28-30,38H,11,16-17,34-35H2/t28-,29-,30-/m0/s1
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| InChIKey |
BYFQZUPDPUOMAR-DTXPUJKBSA-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