General Information of the Compound
| Compound ID |
CP0457400
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| Compound Name |
(2S)-N-[2-[[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-5-(diaminomethylideneamino)-2-[(2-phenylacetyl)amino]pentanamide
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| Structure |
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| Formula |
C30H44N12O4
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| Molecular Weight |
636.762
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| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C30H44N12O4/c31-26(32)21-12-10-20(11-13-21)17-39-27(45)23(9-5-15-38-30(35)36)42-25(44)18-40-28(46)22(8-4-14-37-29(33)34)41-24(43)16-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H3,31,32)(H,39,45)(H,40,46)(H,41,43)(H,42,44)(H4,33,34,37)(H4,35,36,38)/t22-,23-/m0/s1
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| InChIKey |
IWQLDALLDIXJHA-GOTSBHOMSA-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