General Information of the Compound
| Compound ID |
CP0501055
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| Compound Name |
(S)-4-(6-(2-(diethylamino)ethoxy)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C32H46N6O7
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| Molecular Weight |
626.755
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCCN(CC)CC)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C32H46N6O7/c1-4-7-11-21-45-32(43)38-18-16-37(17-19-38)31(42)25(14-15-28(39)40)34-30(41)26-23-27(44-22-20-36(5-2)6-3)35-29(33-26)24-12-9-8-10-13-24/h8-10,12-13,23,25H,4-7,11,14-22H2,1-3H3,(H,34,41)(H,39,40)/t25-/m0/s1
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| InChIKey |
UTBGSERQHXULAJ-VWLOTQADSA-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