General Information of the Compound
| Compound ID |
CP0575116
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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-[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]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfonyl]benzamide
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| Formula |
C72H107Cl2N5O17S
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| Molecular Weight |
1417.639
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| Canonical SMILES |
CC(O)(CCCCCCOCCOCCOCCOCCOCCOCCOCc1cn(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/C72H107Cl2N5O17S/c1-70-22-19-58(80)50-55(70)11-14-60-63-16-18-68(71(63,2)23-20-64(60)70)72(3,82)21-7-4-5-9-26-85-28-30-87-32-34-89-36-37-91-38-39-92-42-43-94-46-47-96-54-57-53-79(78-77-57)25-27-86-29-31-88-33-35-90-40-41-93-44-45-95-48-49-97(83,84)59-13-15-61(66(74)52-59)69(81)76-56-12-17-65(73)62(51-56)67-10-6-8-24-75-67/h6,8,10-13,15,17,24,51-53,58,60,63-64,68,80,82H,4-5,7,9,14,16,18-23,25-50,54H2,1-3H3,(H,76,81)/t58-,60-,63-,64-,68?,70-,71-,72?/m0/s1
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| InChIKey |
UVFQGWJDRIFIAL-FVSZOXBASA-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