General Information of the Compound
| Compound ID |
CP0538830
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| Compound Name |
N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]quinoxaline-2-carboxamide
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| Structure |
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| Formula |
C33H43N9O4
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| Molecular Weight |
629.766
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| Canonical SMILES |
NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C33H43N9O4/c34-29(43)26(18-21-10-3-1-4-11-21)41-30(44)25(16-9-17-37-33(35)36)40-31(45)27(19-22-12-5-2-6-13-22)42-32(46)28-20-38-23-14-7-8-15-24(23)39-28/h1,3-4,7-8,10-11,14-15,20,22,25-27H,2,5-6,9,12-13,16-19H2,(H2,34,43)(H,40,45)(H,41,44)(H,42,46)(H4,35,36,37)/t25-,26-,27-/m0/s1
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| InChIKey |
GDYXGNMHNDTTER-QKDODKLFSA-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