General Information of the Compound
| Compound ID |
CP0439260
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| Compound Name |
(S)-4-(4-(4-(2-(dimethylamino)ethyl)piperazin-1-yl)-6-phenylpicolinamido)-5-(4-(ethoxycarbonyl)piperazin-1-yl)-5-oxopentanoic acid
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| Structure |
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| Formula |
C32H45N7O6
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| Molecular Weight |
623.755
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCN(CCN(C)C)CC1
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| InChI |
InChI=1S/C32H45N7O6/c1-4-45-32(44)39-20-18-38(19-21-39)31(43)26(10-11-29(40)41)34-30(42)28-23-25(22-27(33-28)24-8-6-5-7-9-24)37-16-14-36(15-17-37)13-12-35(2)3/h5-9,22-23,26H,4,10-21H2,1-3H3,(H,34,42)(H,40,41)/t26-/m0/s1
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| InChIKey |
FKGVMOBIDGZEDY-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