General Information of the Compound
| Compound ID |
CP0471604
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| Compound Name |
(2S)-N-[(2S)-1-[[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5-(diaminomethylideneamino)-2-[(2-phenylacetyl)amino]pentanamide
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| Structure |
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| Formula |
C31H46N12O4
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| Molecular Weight |
650.789
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| Canonical SMILES |
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/C31H46N12O4/c1-19(41-29(47)24(10-6-16-39-31(36)37)42-25(44)17-20-7-3-2-4-8-20)27(45)43-23(9-5-15-38-30(34)35)28(46)40-18-21-11-13-22(14-12-21)26(32)33/h2-4,7-8,11-14,19,23-24H,5-6,9-10,15-18H2,1H3,(H3,32,33)(H,40,46)(H,41,47)(H,42,44)(H,43,45)(H4,34,35,38)(H4,36,37,39)/t19-,23-,24-/m0/s1
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| InChIKey |
ZPMVFWVXSWAFFY-IGKWTDBASA-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