General Information of the Compound
| Compound ID |
CP0547957
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| Compound Name |
N-[2-[(2S)-2-[2-(benzhydrylamino)-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
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| Formula |
C31H28N4O4
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| Molecular Weight |
520.589
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| Canonical SMILES |
O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C(=O)C(=O)NC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C31H28N4O4/c36-27(20-33-30(38)24-17-18-32-25-15-8-7-14-23(24)25)35-19-9-16-26(35)29(37)31(39)34-28(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-8,10-15,17-18,26,28H,9,16,19-20H2,(H,33,38)(H,34,39)/t26-/m0/s1
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| InChIKey |
FXGXCBXNQKWBIN-SANMLTNESA-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