General Information of the Compound
| Compound ID |
CP0506636
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| Compound Name |
(2S)-6-amino-N-[(4-carbamimidoylphenyl)methyl]-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[(2-phenylacetyl)amino]pentanoyl]amino]-3-methylbutanoyl]amino]hexanamide
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| Structure |
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| Formula |
C33H50N10O4
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| Molecular Weight |
650.829
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C33H50N10O4/c1-21(2)28(43-31(46)26(12-8-18-39-33(37)38)41-27(44)19-22-9-4-3-5-10-22)32(47)42-25(11-6-7-17-34)30(45)40-20-23-13-15-24(16-14-23)29(35)36/h3-5,9-10,13-16,21,25-26,28H,6-8,11-12,17-20,34H2,1-2H3,(H3,35,36)(H,40,45)(H,41,44)(H,42,47)(H,43,46)(H4,37,38,39)/t25-,26-,28-/m0/s1
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| InChIKey |
UHILVQSDCZPVAG-NSVAZKTRSA-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