General Information of the Compound
| Compound ID |
CP0089417
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| Compound Name |
(3S,4S)-N-[4-[(Benzyl)(4-nitrophenyl)amino]-1-methylpyrrole-2-carbonyl]-3,4-dihydroxypyrrolidine
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| Structure |
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| Formula |
C23H24N4O5
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| Molecular Weight |
436.468
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| Canonical SMILES |
Cn1cc(cc1C(=O)N1C[C@H](O)[C@@H](O)C1)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C23H24N4O5/c1-24-13-19(11-20(24)23(30)25-14-21(28)22(29)15-25)26(12-16-5-3-2-4-6-16)17-7-9-18(10-8-17)27(31)32/h2-11,13,21-22,28-29H,12,14-15H2,1H3/t21-,22-/m0/s1
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| InChIKey |
XZCZELYCEDKRRD-VXKWHMMOSA-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