General Information of the Compound
| Compound ID |
CP0441472
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| Compound Name |
(4S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(1-(diethylamino)-1-oxobutan-2-yloxy)-2-phenylpyrimidine-4-carboxamido)-5-oxopentanoic acid
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| Structure |
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| Formula |
C33H46N6O8
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| Molecular Weight |
654.765
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(CC)C(=O)N(CC)CC)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C33H46N6O8/c1-5-9-21-46-33(45)39-19-17-38(18-20-39)31(43)24(15-16-28(40)41)35-30(42)25-22-27(36-29(34-25)23-13-11-10-12-14-23)47-26(6-2)32(44)37(7-3)8-4/h10-14,22,24,26H,5-9,15-21H2,1-4H3,(H,35,42)(H,40,41)/t24-,26?/m0/s1
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| InChIKey |
ZMRUIPHMUHVQSL-QSAPEBAKSA-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