General Information of the Compound
| Compound ID |
CP0547961
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| Compound Name |
N-[2-[(2S)-2-[2-(1-adamantylamino)-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
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| Formula |
C28H32N4O4
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| Molecular Weight |
488.588
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| Canonical SMILES |
O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C(=O)C(=O)NC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C28H32N4O4/c33-24(16-30-26(35)21-7-8-29-22-5-2-1-4-20(21)22)32-9-3-6-23(32)25(34)27(36)31-28-13-17-10-18(14-28)12-19(11-17)15-28/h1-2,4-5,7-8,17-19,23H,3,6,9-16H2,(H,30,35)(H,31,36)/t17?,18?,19?,23-,28?/m0/s1
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| InChIKey |
YEUYYKVDUFOAIG-NGSVYCESSA-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