General Information of the Compound
| Compound ID |
CP0669811
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| Compound Name |
(S)-N*1*-{3-[Cyclopentyloxy-(4-methoxy-benzenesulfonyl)-amino]-2-hydroxy-1-phenyl-propyl}-2-[(quinoline-2-carbonyl)-amino]-succinamide
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| Structure |
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| Formula |
C36H41N5O8S
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| Molecular Weight |
703.818
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| Canonical SMILES |
COc1ccc(S(=O)(=O)N(CC(O)C(Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)OC2CCCC2)cc1
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| InChI |
InChI=1S/C36H41N5O8S/c1-48-26-16-18-28(19-17-26)50(46,47)41(49-27-12-6-7-13-27)23-33(42)31(21-24-9-3-2-4-10-24)39-36(45)32(22-34(37)43)40-35(44)30-20-15-25-11-5-8-14-29(25)38-30/h2-5,8-11,14-20,27,31-33,42H,6-7,12-13,21-23H2,1H3,(H2,37,43)(H,39,45)(H,40,44)/t31?,32-,33?/m0/s1
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| InChIKey |
HGAIYDOVRVFWKX-OMYKBPHGSA-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