General Information of the Compound
| Compound ID |
CP0512634
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| Compound Name |
(2S)-N-[(2S)-1-[[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)-2-[(2-phenylacetyl)amino]pentanamide
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| Structure |
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| Formula |
C34H48N14O4
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| Molecular Weight |
716.852
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| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C34H48N14O4/c35-29(36)23-12-10-22(11-13-23)18-44-30(50)25(8-4-14-42-33(37)38)47-32(52)27(17-24-19-41-20-45-24)48-31(51)26(9-5-15-43-34(39)40)46-28(49)16-21-6-2-1-3-7-21/h1-3,6-7,10-13,19-20,25-27H,4-5,8-9,14-18H2,(H3,35,36)(H,41,45)(H,44,50)(H,46,49)(H,47,52)(H,48,51)(H4,37,38,42)(H4,39,40,43)/t25-,26-,27-/m0/s1
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| InChIKey |
KCKQLYSYMKXATG-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