General Information of the Compound
| Compound ID |
CP0531171
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| Compound Name |
N'-(4-chlorophenyl)-N-[1-[2-[[(2S)-2-(diaminomethylideneamino)-6-[8-(diaminomethylideneamino)octanoylamino]hexanoyl]amino]ethyl]-1-azaspiro[5.5]undecan-4-yl]oxamide
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| Formula |
C36H60ClN11O4
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| Molecular Weight |
746.402
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| Canonical SMILES |
NC(=N)NCCCCCCCC(=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/C36H60ClN11O4/c37-26-13-15-27(16-14-26)45-32(51)33(52)46-28-17-23-48(36(25-28)18-7-4-8-19-36)24-22-43-31(50)29(47-35(40)41)11-6-10-20-42-30(49)12-5-2-1-3-9-21-44-34(38)39/h13-16,28-29H,1-12,17-25H2,(H,42,49)(H,43,50)(H,45,51)(H,46,52)(H4,38,39,44)(H4,40,41,47)/t28?,29-/m0/s1
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| InChIKey |
XVLJJEOPGFKNIW-XIJSCUBXSA-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