General Information of the Compound
| Compound ID |
CP0534463
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| Compound Name |
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[7-hydroxy-7-[(3S,8S,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]octoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfonyl]benzamide
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| Formula |
C68H99Cl2N5O15S
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| Molecular Weight |
1329.533
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| Canonical SMILES |
CC(O)(CCCCCCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(c3)-c3ccccn3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C68H99Cl2N5O15S/c1-66-22-19-54(76)46-51(66)11-14-56-59-16-18-64(67(59,2)23-20-60(56)66)68(3,78)21-7-4-5-9-26-81-28-30-83-32-34-86-38-39-88-42-43-90-50-53-49-75(74-73-53)25-27-82-29-31-84-33-35-85-36-37-87-40-41-89-44-45-91(79,80)55-13-15-57(62(70)48-55)65(77)72-52-12-17-61(69)58(47-52)63-10-6-8-24-71-63/h6,8,10-13,15,17,24,47-49,54,56,59-60,64,76,78H,4-5,7,9,14,16,18-23,25-46,50H2,1-3H3,(H,72,77)/t54-,56-,59-,60-,64?,66-,67-,68?/m0/s1
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| InChIKey |
DFPGTDJNXUHNAS-KMUOLSPLSA-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