General Information of the Compound
| Compound ID |
CP0577332
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| Compound Name |
(4R)-4-[(1S,2R,13S,14S,17R,18R)-7-acetyl-2,9,9,18-tetramethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,10-trien-17-yl]-N-(2-morpholin-4-ylethyl)pentanamide
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| Structure |
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| Formula |
C35H54N4O3
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| Molecular Weight |
578.842
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| Canonical SMILES |
C[C@H](CCC(=O)NCCN1CCOCC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5c(C[C@]4(C)[C@H]3CC[C@]12C)cnn5C(C)=O
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| InChI |
InChI=1S/C35H54N4O3/c1-23(7-12-31(41)36-15-16-38-17-19-42-20-18-38)27-9-10-28-26-8-11-30-33(3,4)32-25(22-37-39(32)24(2)40)21-35(30,6)29(26)13-14-34(27,28)5/h11,22-23,26-29H,7-10,12-21H2,1-6H3,(H,36,41)/t23-,26+,27-,28+,29+,34-,35-/m1/s1
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| InChIKey |
ORBLGFXDUMALLT-HFSKIGCYSA-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