General Information of the Compound
| Compound ID |
CP0570097
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| Compound Name |
N-[1-[2-[[(2S)-2,6-bis(diaminomethylideneamino)hexanoyl]amino]ethyl]-1-azaspiro[5.5]undecan-4-yl]-N'-(4-chlorophenyl)oxamide
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| Formula |
C28H45ClN10O3
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| Molecular Weight |
605.188
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| Canonical SMILES |
NC(=N)NCCCC[C@H](NC(N)=N)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H45ClN10O3/c29-19-7-9-20(10-8-19)36-24(41)25(42)37-21-11-16-39(28(18-21)12-3-1-4-13-28)17-15-34-23(40)22(38-27(32)33)6-2-5-14-35-26(30)31/h7-10,21-22H,1-6,11-18H2,(H,34,40)(H,36,41)(H,37,42)(H4,30,31,35)(H4,32,33,38)/t21?,22-/m0/s1
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| InChIKey |
KHQIIEBXYALHCG-KEKNWZKVSA-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