General Information of the Compound
| Compound ID |
CP0429735
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| Compound Name |
(4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-{[(4-{[(dimethylamino)carbonyl]oxy}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxopentanoic Acid
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| Structure |
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| Formula |
C29H37N5O8
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| Molecular Weight |
583.642
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N(C)C)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C29H37N5O8/c1-4-5-17-41-29(40)34-15-13-33(14-16-34)27(38)22(11-12-25(35)36)31-26(37)24-19-21(42-28(39)32(2)3)18-23(30-24)20-9-7-6-8-10-20/h6-10,18-19,22H,4-5,11-17H2,1-3H3,(H,31,37)(H,35,36)/t22-/m0/s1
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| InChIKey |
XXPAYSATRCQXOB-QFIPXVFZSA-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