General Information of the Compound
| Compound ID |
CP0912794
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| Compound Name |
2-((4S,7S,10S,13S)-4-((1H-indol-3-yl)methyl)-10-benzyl-7-(2-carboxyethyl)-14-(4-hydroxyphenyl)-3,6,9,12-tetraoxo-2,5,8,11-tetraazatetradecan-13-ylcarbamoyl)cyclobutanecarboxylic acid
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| Structure |
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| Formula |
C41H46N6O10
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| Molecular Weight |
782.851
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| Canonical SMILES |
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCC1C(=O)O
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| InChI |
InChI=1S/C41H46N6O10/c1-42-37(52)34(21-25-22-43-30-10-6-5-9-27(25)30)47-38(53)31(17-18-35(49)50)44-39(54)33(19-23-7-3-2-4-8-23)46-40(55)32(20-24-11-13-26(48)14-12-24)45-36(51)28-15-16-29(28)41(56)57/h2-14,22,28-29,31-34,43,48H,15-21H2,1H3,(H,42,52)(H,44,54)(H,45,51)(H,46,55)(H,47,53)(H,49,50)(H,56,57)/t28?,29?,31-,32-,33-,34-/m0/s1
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| InChIKey |
SAXLZOPVDKURQL-ONAQHSEDSA-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