General Information of the Compound
| Compound ID |
CP0475951
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| Compound Name |
(4S)-4-[[6-[2-[(dimethylamino)methyl]piperidin-1-yl]-2-phenylpyrimidine-4-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic 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 |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCCCC1CN(C)C
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| InChI |
InChI=1S/C31H43N7O6/c1-4-44-31(43)37-18-16-36(17-19-37)30(42)24(13-14-27(39)40)33-29(41)25-20-26(34-28(32-25)22-10-6-5-7-11-22)38-15-9-8-12-23(38)21-35(2)3/h5-7,10-11,20,23-24H,4,8-9,12-19,21H2,1-3H3,(H,33,41)(H,39,40)/t23?,24-/m0/s1
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| InChIKey |
LDIGNNRHWIXPNS-CGAIIQECSA-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