General Information of the Compound
| Compound ID |
CP0500667
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| Compound Name |
(4S)4-[({4-[4-(Hydroxymethyl)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 |
C33H45N5O7
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| Molecular Weight |
623.751
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CO)CC1
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| InChI |
InChI=1S/C33H45N5O7/c1-2-3-7-20-45-33(44)38-18-16-37(17-19-38)32(43)27(10-11-30(40)41)35-31(42)29-22-26(36-14-12-24(23-39)13-15-36)21-28(34-29)25-8-5-4-6-9-25/h4-6,8-9,21-22,24,27,39H,2-3,7,10-20,23H2,1H3,(H,35,42)(H,40,41)/t27-/m0/s1
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| InChIKey |
DHPUDFFYGVXJKK-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