General Information of the Compound
| Compound ID |
CP0454786
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| Compound Name |
N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C30H42N8O4
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| Molecular Weight |
578.718
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| Canonical SMILES |
NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C30H42N8O4/c31-26(39)24(18-20-10-3-1-4-11-20)37-28(41)23(15-9-17-35-30(32)33)36-29(42)25(19-21-12-5-2-6-13-21)38-27(40)22-14-7-8-16-34-22/h1,3-4,7-8,10-11,14,16,21,23-25H,2,5-6,9,12-13,15,17-19H2,(H2,31,39)(H,36,42)(H,37,41)(H,38,40)(H4,32,33,35)/t23-,24-,25-/m0/s1
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| InChIKey |
SUNBRECXNCCRSA-SDHOMARFSA-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