General Information of the Compound
| Compound ID |
CP0876620
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| Compound Name |
2-(4-{4-[N-(3-{3-[3-(N-{3-[(1-{2-[(4-amino-2-methoxyphenyl)carbonyloxy]ethyl}piperidin-4-yl)carbamoyl]propyl}-2,2-dimethylpropanamido)prop-1-yn-1-yl]phenyl}prop-2-yn-1-yl)-2,2-dimethylpropanamido]butanamido}piperidin-1-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate
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| Structure |
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| Formula |
C60H80Cl2N8O12
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| Molecular Weight |
1176.25
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)CCCN(CC#Cc2cccc(C#CCN(CCCC(=O)NC3CCN(CCOC(=O)c4cc(Cl)c(N)cc4OC)CC3)C(=O)OC(C)(C)C)c2)C(=O)OC(C)(C)C)CC1
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| InChI |
InChI=1S/C60H80Cl2N8O12/c1-59(2,3)81-57(75)69(26-12-18-53(71)65-43-20-28-67(29-21-43)32-34-79-55(73)45-37-47(61)49(63)39-51(45)77-7)24-10-16-41-14-9-15-42(36-41)17-11-25-70(58(76)82-60(4,5)6)27-13-19-54(72)66-44-22-30-68(31-23-44)33-35-80-56(74)46-38-48(62)50(64)40-52(46)78-8/h9,14-15,36-40,43-44H,12-13,18-35,63-64H2,1-8H3,(H,65,71)(H,66,72)
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| InChIKey |
WHJGUHYWTPNQOR-UHFFFAOYSA-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