General Information of the Compound
| Compound ID |
CP0425432
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| Compound Name |
(2S)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[(2-phenylacetyl)amino]pentanoyl]amino]-4-methylpentanamide
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| Structure |
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| Formula |
C34H52N12O4
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| Molecular Weight |
692.87
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C34H52N12O4/c1-21(2)18-27(46-31(49)26(11-7-17-42-34(39)40)44-28(47)19-22-8-4-3-5-9-22)32(50)45-25(10-6-16-41-33(37)38)30(48)43-20-23-12-14-24(15-13-23)29(35)36/h3-5,8-9,12-15,21,25-27H,6-7,10-11,16-20H2,1-2H3,(H3,35,36)(H,43,48)(H,44,47)(H,45,50)(H,46,49)(H4,37,38,41)(H4,39,40,42)/t25-,26-,27-/m0/s1
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| InChIKey |
CQNSCQPENMAOOH-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