General Information of the Compound
| Compound ID |
CP0473546
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| Compound Name |
(2S)-6-amino-2-[[(2S)-3-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[(2-phenylacetyl)amino]pentanoyl]amino]propanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]hexanamide
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| Structure |
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| Formula |
C31H47N11O4
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| Molecular Weight |
637.79
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| Canonical SMILES |
NCCCC[C@H](NC(=O)[C@H](CN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C31H47N11O4/c32-15-5-4-9-23(28(44)39-19-21-11-13-22(14-12-21)27(34)35)41-30(46)25(18-33)42-29(45)24(10-6-16-38-31(36)37)40-26(43)17-20-7-2-1-3-8-20/h1-3,7-8,11-14,23-25H,4-6,9-10,15-19,32-33H2,(H3,34,35)(H,39,44)(H,40,43)(H,41,46)(H,42,45)(H4,36,37,38)/t23-,24-,25-/m0/s1
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| InChIKey |
RZQYFYSKAMJUAA-SDHOMARFSA-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