General Information of the Compound
| Compound ID |
CP0374044
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| Compound Name |
(S)-4-(4-(4-(2-aminoethyl)piperidin-1-yl)-6-phenylpyrimidine-2-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C33H47N7O6
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| Molecular Weight |
637.782
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(cc(n1)-c1ccccc1)N1CCC(CCN)CC1
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| InChI |
InChI=1S/C33H47N7O6/c1-2-3-7-22-46-33(45)40-20-18-39(19-21-40)32(44)26(10-11-29(41)42)36-31(43)30-35-27(25-8-5-4-6-9-25)23-28(37-30)38-16-13-24(12-15-34)14-17-38/h4-6,8-9,23-24,26H,2-3,7,10-22,34H2,1H3,(H,36,43)(H,41,42)/t26-/m0/s1
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| InChIKey |
AUYPTSZHJCUGSJ-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