General Information of the Compound
| Compound ID |
CP0502241
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| Compound Name |
(4S)-5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-[({6-phenyl-4-[(tetrahydro-2H-pyran-4-ylamino)carbonyl]pyridin-2-yl}carbonyl)amino]pentanoic Acid
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| Structure |
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| Formula |
C33H43N5O8
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| Molecular Weight |
637.734
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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)NC1CCOCC1
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| InChI |
InChI=1S/C33H43N5O8/c1-2-3-7-18-46-33(44)38-16-14-37(15-17-38)32(43)26(10-11-29(39)40)36-31(42)28-22-24(30(41)34-25-12-19-45-20-13-25)21-27(35-28)23-8-5-4-6-9-23/h4-6,8-9,21-22,25-26H,2-3,7,10-20H2,1H3,(H,34,41)(H,36,42)(H,39,40)/t26-/m0/s1
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| InChIKey |
CGPOZNBLJYDEKC-SANMLTNESA-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