General Information of the Compound
| Compound ID |
CP0513929
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| Compound Name |
(4S)4-[({4-[4-(Dimethylamino)piperidin-1-yl]-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 |
C34H48N6O6
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| Molecular Weight |
636.794
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)N(C)C
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| InChI |
InChI=1S/C34H48N6O6/c1-4-5-9-22-46-34(45)40-20-18-39(19-21-40)33(44)28(12-13-31(41)42)36-32(43)30-24-27(38-16-14-26(15-17-38)37(2)3)23-29(35-30)25-10-7-6-8-11-25/h6-8,10-11,23-24,26,28H,4-5,9,12-22H2,1-3H3,(H,36,43)(H,41,42)/t28-/m0/s1
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| InChIKey |
BPBAHOWWDVNYKR-NDEPHWFRSA-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