General Information of the Compound
| Compound ID |
CP0081811
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| Compound Name |
(3S,4R)-N-hydroxy-3-methyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-1-prop-2-ynylpiperidine-3-carboxamide
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| Structure |
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| Formula |
C27H30N4O5S
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| Molecular Weight |
522.627
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| Canonical SMILES |
Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCN(CC#C)C[C@]2(C)C(=O)NO)c2ccccc2n1
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| InChI |
InChI=1S/C27H30N4O5S/c1-4-14-31-15-13-25(27(3,18-31)26(32)29-33)30-37(34,35)22-11-9-21(10-12-22)36-17-20-16-19(2)28-24-8-6-5-7-23(20)24/h1,5-12,16,25,30,33H,13-15,17-18H2,2-3H3,(H,29,32)/t25-,27+/m1/s1
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| InChIKey |
MWKQFYFRXFGWCL-VPUSJEBWSA-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