General Information of the Compound
| Compound ID |
CP0498628
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| Compound Name |
(2S)-N-(3-(1-aminoisoquinolin-6-yl)-1-oxo-1-(piperidin-1-yl)propan-2-yl)-2-(4-methoxy-2,3,6-trimethylphenylsulfonamido)-3-phenylpropanamide
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| Structure |
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| Formula |
C36H43N5O5S
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| Molecular Weight |
657.837
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| Canonical SMILES |
COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc2c(N)nccc2c1)C(=O)N1CCCCC1
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| InChI |
InChI=1S/C36H43N5O5S/c1-23-19-32(46-4)24(2)25(3)33(23)47(44,45)40-30(21-26-11-7-5-8-12-26)35(42)39-31(36(43)41-17-9-6-10-18-41)22-27-13-14-29-28(20-27)15-16-38-34(29)37/h5,7-8,11-16,19-20,30-31,40H,6,9-10,17-18,21-22H2,1-4H3,(H2,37,38)(H,39,42)/t30-,31?/m0/s1
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| InChIKey |
FLORIMHDFRZCJZ-FSRLHOSWSA-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