General Information of the Compound
| Compound ID |
CP0473491
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| Compound Name |
(4S)5-Oxo-5-{4-[(pentylamino)carbonothioyl]piperazin-1-yl}-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}pentanoic acid
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| Structure |
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| Formula |
C31H43N5O4S
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| Molecular Weight |
581.783
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| Canonical SMILES |
CCCCCNC(=S)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cccc(n1)-c1ccccc1
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| InChI |
InChI=1S/C31H43N5O4S/c1-5-6-10-18-32-30(41)36-21-19-35(20-22-36)29(39)26(16-17-27(37)40-31(2,3)4)34-28(38)25-15-11-14-24(33-25)23-12-8-7-9-13-23/h7-9,11-15,26H,5-6,10,16-22H2,1-4H3,(H,32,41)(H,34,38)/t26-/m0/s1
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| InChIKey |
UNEIITDBBIWFPR-SANMLTNESA-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