General Information of the Compound
| Compound ID |
CP0444481
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| Compound Name |
N-[2-[(2S)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
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| Formula |
C26H26N4O5
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| Molecular Weight |
474.517
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| Canonical SMILES |
COc1ccc(CNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1
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| InChI |
InChI=1S/C26H26N4O5/c1-35-18-10-8-17(9-11-18)15-28-26(34)24(32)22-7-4-14-30(22)23(31)16-29-25(33)20-12-13-27-21-6-3-2-5-19(20)21/h2-3,5-6,8-13,22H,4,7,14-16H2,1H3,(H,28,34)(H,29,33)/t22-/m0/s1
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| InChIKey |
MMUDHJFHAAEJPX-QFIPXVFZSA-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