General Information of the Compound
| Compound ID |
CP0039796
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| Compound Name |
(S)-4-(4-(4-(aminomethyl)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 |
C32H45N7O6
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| Molecular Weight |
623.755
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(cc(n1)-c1ccccc1)N1CCC(CN)CC1
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| InChI |
InChI=1S/C32H45N7O6/c1-2-3-7-20-45-32(44)39-18-16-38(17-19-39)31(43)25(10-11-28(40)41)35-30(42)29-34-26(24-8-5-4-6-9-24)21-27(36-29)37-14-12-23(22-33)13-15-37/h4-6,8-9,21,23,25H,2-3,7,10-20,22,33H2,1H3,(H,35,42)(H,40,41)/t25-/m0/s1
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| InChIKey |
UBUZWWOZWUDJKW-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