General Information of the Compound
| Compound ID |
CP0577543
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| Compound Name |
(2S)-2-[[(5R,8S,11S,14S,17S,20R)-20-amino-14-[(4-hydroxyphenyl)methyl]-8-methyl-11,17-bis(2-methylpropyl)-7,10,13,16,19-pentaoxo-3,22-dithia-6,9,12,15,18,28-hexazabicyclo[22.3.1]octacosa-1(27),24(28),25-triene-5-carbonyl]amino]-3-hydroxypropanoic acid
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| Structure |
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| Formula |
C40H58N8O10S2
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| Molecular Weight |
875.084
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| Canonical SMILES |
CC(C)C[C@@H]1NC(=O)[C@@H](N)CSCc2cccc(CSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(=O)N[C@@H](CO)C(O)=O)n2
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| InChI |
InChI=1S/C40H58N8O10S2/c1-21(2)13-29-36(53)42-23(5)34(51)48-33(39(56)47-32(16-49)40(57)58)20-60-18-26-8-6-7-25(43-26)17-59-19-28(41)35(52)44-30(14-22(3)4)37(54)46-31(38(55)45-29)15-24-9-11-27(50)12-10-24/h6-12,21-23,28-33,49-50H,13-20,41H2,1-5H3,(H,42,53)(H,44,52)(H,45,55)(H,46,54)(H,47,56)(H,48,51)(H,57,58)/t23-,28-,29-,30-,31-,32-,33-/m0/s1
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| InChIKey |
KYNIZYCKZMOXEJ-RKNQSKIKSA-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