General Information of the Compound
| Compound ID |
CP0522022
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| Compound Name |
(4S)-4-({[4-({[3-(Dimethylamino)propyl](methyl)amino}carbonyl)-6-phenylpyridin-2-yl]carbonyl}amino)-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid
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| Structure |
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| Formula |
C34H48N6O7
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| Molecular Weight |
652.793
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)C(=O)N(C)CCCN(C)C
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| InChI |
InChI=1S/C34H48N6O7/c1-5-6-10-22-47-34(46)40-20-18-39(19-21-40)33(45)27(14-15-30(41)42)36-31(43)29-24-26(32(44)38(4)17-11-16-37(2)3)23-28(35-29)25-12-8-7-9-13-25/h7-9,12-13,23-24,27H,5-6,10-11,14-22H2,1-4H3,(H,36,43)(H,41,42)/t27-/m0/s1
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| InChIKey |
CJHQIOWSDCNLPN-MHZLTWQESA-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