General Information of the Compound
| Compound ID |
CP0190970
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| Compound Name |
N-[(2S)-3-(1-methylcyclohexyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
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| Structure |
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| Formula |
C27H41N5O6S
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| Molecular Weight |
563.721
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| Canonical SMILES |
C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCCC2)NC(=O)N2CCOCC2)C(=O)CN1S(=O)(=O)c1ccccn1
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| InChI |
InChI=1S/C27H41N5O6S/c1-20-9-10-21(23(33)19-32(20)39(36,37)24-8-4-7-13-28-24)29-25(34)22(18-27(2)11-5-3-6-12-27)30-26(35)31-14-16-38-17-15-31/h4,7-8,13,20-22H,3,5-6,9-12,14-19H2,1-2H3,(H,29,34)(H,30,35)/t20-,21+,22+/m1/s1
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| InChIKey |
WYBFWCUCYMPPNV-FSSWDIPSSA-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