General Information of the Compound
| Compound ID |
CP0488464
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| Compound Name |
methyl 6-amino-2-[[(4R)-5-ethoxy-4-[[(2S)-2-[[2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]hexanoate
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| Structure |
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| Formula |
C31H47N5O10
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| Molecular Weight |
649.742
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| Canonical SMILES |
CCOC(=O)[C@@H](CCC(=O)NC(CCCCN)C(=O)OC)NC(=O)[C@@H](NC(=O)CNC(=O)\C=C\c1ccc(O)c(OC)c1)C(C)C
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| InChI |
InChI=1S/C31H47N5O10/c1-6-46-31(43)22(12-15-26(39)34-21(30(42)45-5)9-7-8-16-32)35-29(41)28(19(2)3)36-27(40)18-33-25(38)14-11-20-10-13-23(37)24(17-20)44-4/h10-11,13-14,17,19,21-22,28,37H,6-9,12,15-16,18,32H2,1-5H3,(H,33,38)(H,34,39)(H,35,41)(H,36,40)/b14-11+/t21?,22-,28+/m1/s1
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| InChIKey |
OYNPOYHWXQPREH-NYDMZULMSA-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