General Information of the Compound
| Compound ID |
CP0444484
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| Compound Name |
N-[2-[(2S)-2-[2-(cyclohexylamino)-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
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| Formula |
C24H28N4O4
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| Molecular Weight |
436.512
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| Canonical SMILES |
O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C(=O)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C24H28N4O4/c29-21(15-26-23(31)18-12-13-25-19-10-5-4-9-17(18)19)28-14-6-11-20(28)22(30)24(32)27-16-7-2-1-3-8-16/h4-5,9-10,12-13,16,20H,1-3,6-8,11,14-15H2,(H,26,31)(H,27,32)/t20-/m0/s1
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| InChIKey |
PBMCEOHCJBQWNS-FQEVSTJZSA-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