General Information of the Compound
| Compound ID |
CP0494777
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| Compound Name |
(S)-4-(4-(4-methylpiperazin-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 |
C31H43N7O6
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| Molecular Weight |
609.728
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(cc(n1)-c1ccccc1)N1CCN(C)CC1
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| InChI |
InChI=1S/C31H43N7O6/c1-3-4-8-21-44-31(43)38-19-17-37(18-20-38)30(42)24(11-12-27(39)40)33-29(41)28-32-25(23-9-6-5-7-10-23)22-26(34-28)36-15-13-35(2)14-16-36/h5-7,9-10,22,24H,3-4,8,11-21H2,1-2H3,(H,33,41)(H,39,40)/t24-/m0/s1
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| InChIKey |
AXDLCTBYPALFAX-DEOSSOPVSA-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