General Information of the Compound
| Compound ID |
CP0552716
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| Compound Name |
N-[2-[(2S)-2-[2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
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| Formula |
C23H25N5O5
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| Molecular Weight |
451.483
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| Canonical SMILES |
O=C(CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12)NC1CC1
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| InChI |
InChI=1S/C23H25N5O5/c29-19(27-14-7-8-14)12-25-23(33)21(31)18-6-3-11-28(18)20(30)13-26-22(32)16-9-10-24-17-5-2-1-4-15(16)17/h1-2,4-5,9-10,14,18H,3,6-8,11-13H2,(H,25,33)(H,26,32)(H,27,29)/t18-/m0/s1
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| InChIKey |
IUGDOKYOMQOXPG-SFHVURJKSA-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