General Information of the Compound
| Compound ID |
CP0529858
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| Compound Name |
(S)-4-(6-(3-(dimethylamino)propylamino)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C31H45N7O6
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| Molecular Weight |
611.744
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NCCCN(C)C)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C31H45N7O6/c1-4-5-9-21-44-31(43)38-19-17-37(18-20-38)30(42)24(13-14-27(39)40)34-29(41)25-22-26(32-15-10-16-36(2)3)35-28(33-25)23-11-7-6-8-12-23/h6-8,11-12,22,24H,4-5,9-10,13-21H2,1-3H3,(H,34,41)(H,39,40)(H,32,33,35)/t24-/m0/s1
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| InChIKey |
KTVLATPJLYVLET-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