General Information of the Compound
| Compound ID |
CP0484178
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| Compound Name |
N'-(4-chlorophenyl)-N-[1-[2-[[(2S)-2-(diaminomethylideneamino)-6-[5-(diaminomethylideneamino)pentanoylamino]hexanoyl]amino]ethyl]-1-azaspiro[5.5]undecan-4-yl]oxamide
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| Formula |
C33H54ClN11O4
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| Molecular Weight |
704.321
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| Canonical SMILES |
NC(=N)NCCCCC(=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/C33H54ClN11O4/c34-23-10-12-24(13-11-23)42-29(48)30(49)43-25-14-20-45(33(22-25)15-4-1-5-16-33)21-19-40-28(47)26(44-32(37)38)8-2-6-17-39-27(46)9-3-7-18-41-31(35)36/h10-13,25-26H,1-9,14-22H2,(H,39,46)(H,40,47)(H,42,48)(H,43,49)(H4,35,36,41)(H4,37,38,44)/t25?,26-/m0/s1
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| InChIKey |
CBGLNJRDKNWAQG-AMVUTOCUSA-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