General Information of the Compound
| Compound ID |
CP0461260
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| Compound Name |
N,N'-bis[(1S,2R)-1-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]decanediamide
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| Structure |
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| Formula |
C62H92N10O8
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| Molecular Weight |
1105.48
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| Canonical SMILES |
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)NC(=O)CCCCCCCCC(=O)N[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1
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| InChI |
InChI=1S/C62H92N10O8/c1-39(63-3)57(75)67-53(41-23-11-9-12-24-41)61(79)71-35-21-31-49(71)59(77)69-55-45-29-19-17-27-43(45)37-47(55)65-51(73)33-15-7-5-6-8-16-34-52(74)66-48-38-44-28-18-20-30-46(44)56(48)70-60(78)50-32-22-36-72(50)62(80)54(42-25-13-10-14-26-42)68-58(76)40(2)64-4/h17-20,27-30,39-42,47-50,53-56,63-64H,5-16,21-26,31-38H2,1-4H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,47+,48+,49-,50-,53-,54-,55-,56-/m0/s1
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| InChIKey |
RIANMXQTGQXBRN-ODIZVHPFSA-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