General Information of the Compound
| Compound ID |
CP0521709
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| Compound Name |
(7R)-6-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1S,2R)-2-[6-[[(1S,2R)-1-[[(7R)-6-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-thia-6-azaspiro[2.4]heptane-7-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]oxy]hexa-2,4-diynoxy]-2,3-dihydro-1H-inden-1-yl]-4-thia-6-azaspiro[2.4]heptane-7-carboxamide
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| Structure |
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| Formula |
C60H78N8O8S2
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| Molecular Weight |
1103.466
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| Canonical SMILES |
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CSC2(CC2)[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H]1N(CSC11CC1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1
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| InChI |
InChI=1S/C60H78N8O8S2/c1-37(61-3)53(69)63-47(39-19-9-7-10-20-39)57(73)67-35-77-59(27-28-59)51(67)55(71)65-49-43-25-15-13-23-41(43)33-45(49)75-31-17-5-6-18-32-76-46-34-42-24-14-16-26-44(42)50(46)66-56(72)52-60(29-30-60)78-36-68(52)58(74)48(40-21-11-8-12-22-40)64-54(70)38(2)62-4/h13-16,23-26,37-40,45-52,61-62H,7-12,19-22,27-36H2,1-4H3,(H,63,69)(H,64,70)(H,65,71)(H,66,72)/t37-,38-,45+,46+,47-,48-,49-,50-,51+,52+/m0/s1
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| InChIKey |
CLINJFPEFBJRHS-SSYCVUOYSA-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