General Information of the Compound
| Compound ID |
CP0506634
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| Compound Name |
(2S)-N-[(2S)-1-[[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-5-(diaminomethylideneamino)-2-[(2-phenylacetyl)amino]pentanamide
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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@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)Cc1ccccc1)C(=O)N(C)[C@@H](CCCN=C(N)N)C(=O)NCc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C34H52N12O4/c1-21(2)28(45-30(48)25(11-7-17-41-33(37)38)44-27(47)19-22-9-5-4-6-10-22)32(50)46(3)26(12-8-18-42-34(39)40)31(49)43-20-23-13-15-24(16-14-23)29(35)36/h4-6,9-10,13-16,21,25-26,28H,7-8,11-12,17-20H2,1-3H3,(H3,35,36)(H,43,49)(H,44,47)(H,45,48)(H4,37,38,41)(H4,39,40,42)/t25-,26-,28-/m0/s1
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| InChIKey |
KAIAEKKJOOHUNI-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