General Information of the Compound
| Compound ID |
CP0444785
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| Compound Name |
(2S)-2,6-diamino-N-[(1R)-1-[5-[(1R)-1-formamido-2-(1H-indol-3-yl)ethyl]-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]hexanamide
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| Structure |
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| Formula |
C37H43N9O3
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| Molecular Weight |
661.811
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| Canonical SMILES |
COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)[C@@H](Cc2c[nH]c3ccccc23)NC=O)cc1
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| InChI |
InChI=1S/C37H43N9O3/c1-49-27-15-13-24(14-16-27)22-46-35(33(42-23-47)18-25-20-40-31-11-4-2-8-28(25)31)44-45-36(46)34(43-37(48)30(39)10-6-7-17-38)19-26-21-41-32-12-5-3-9-29(26)32/h2-5,8-9,11-16,20-21,23,30,33-34,40-41H,6-7,10,17-19,22,38-39H2,1H3,(H,42,47)(H,43,48)/t30-,33+,34+/m0/s1
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| InChIKey |
JPUXYRWHWDPZKP-JGEAEGMWSA-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