General Information of the Compound
| Compound ID |
CP0428276
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| Compound Name |
(3S)-4-[[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-[[(2S)-5-(diaminomethylideneamino)-2-[(2-phenylacetyl)amino]pentanoyl]amino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C32H46N12O6
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| Molecular Weight |
694.798
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| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C32H46N12O6/c33-27(34)21-12-10-20(11-13-21)18-41-28(48)22(8-4-14-39-31(35)36)43-30(50)24(17-26(46)47)44-29(49)23(9-5-15-40-32(37)38)42-25(45)16-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-24H,4-5,8-9,14-18H2,(H3,33,34)(H,41,48)(H,42,45)(H,43,50)(H,44,49)(H,46,47)(H4,35,36,39)(H4,37,38,40)/t22-,23-,24-/m0/s1
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| InChIKey |
QPRNXNANWARQSW-HJOGWXRNSA-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