General Information of the Compound
| Compound ID |
CP0471075
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| Compound Name |
N-[2-[(2S)-2-[2-[[2-(hexylamino)-2-oxoethyl]amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
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| Formula |
C26H33N5O5
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| Molecular Weight |
495.58
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| Canonical SMILES |
CCCCCCNC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12
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| InChI |
InChI=1S/C26H33N5O5/c1-2-3-4-7-13-28-22(32)16-29-26(36)24(34)21-11-8-15-31(21)23(33)17-30-25(35)19-12-14-27-20-10-6-5-9-18(19)20/h5-6,9-10,12,14,21H,2-4,7-8,11,13,15-17H2,1H3,(H,28,32)(H,29,36)(H,30,35)/t21-/m0/s1
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| InChIKey |
QPBBNXKVXYUVFN-NRFANRHFSA-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