General Information of the Compound
| Compound ID |
CP0559542
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| Compound Name |
N'-(4-chlorophenyl)-N-[1-[2-[[(2S)-2-(diaminomethylideneamino)-6-[[2-(diaminomethylideneamino)acetyl]amino]hexanoyl]amino]ethyl]-1-azaspiro[5.5]undecan-4-yl]oxamide
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| Formula |
C30H48ClN11O4
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| Molecular Weight |
662.24
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| Canonical SMILES |
NC(=N)NCC(=O)NCCCC[C@H](NC(N)=N)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C30H48ClN11O4/c31-20-7-9-21(10-8-20)39-26(45)27(46)40-22-11-16-42(30(18-22)12-3-1-4-13-30)17-15-37-25(44)23(41-29(34)35)6-2-5-14-36-24(43)19-38-28(32)33/h7-10,22-23H,1-6,11-19H2,(H,36,43)(H,37,44)(H,39,45)(H,40,46)(H4,32,33,38)(H4,34,35,41)/t22?,23-/m0/s1
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| InChIKey |
XMGOOMRAWIECBH-WCSIJFPASA-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