General Information of the Compound
| Compound ID |
CP0570133
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| Compound Name |
N'-(4-chlorophenyl)-N-[1-[2-[[(2S)-2-(diaminomethylideneamino)-6-[11-(diaminomethylideneamino)undecanoylamino]hexanoyl]amino]ethyl]-1-azaspiro[5.5]undecan-4-yl]oxamide
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| Formula |
C39H66ClN11O4
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| Molecular Weight |
788.483
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| Canonical SMILES |
NC(=N)NCCCCCCCCCCC(=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/C39H66ClN11O4/c40-29-16-18-30(19-17-29)48-35(54)36(55)49-31-20-26-51(39(28-31)21-10-7-11-22-39)27-25-46-34(53)32(50-38(43)44)14-9-13-23-45-33(52)15-8-5-3-1-2-4-6-12-24-47-37(41)42/h16-19,31-32H,1-15,20-28H2,(H,45,52)(H,46,53)(H,48,54)(H,49,55)(H4,41,42,47)(H4,43,44,50)/t31?,32-/m0/s1
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| InChIKey |
VMHCYVXCLJAPOJ-JYUUXGOASA-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