General Information of the Compound
| Compound ID |
CP0547274
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| Compound Name |
(4R)-4-[(1S,2R,12R,13S,14S,17R,18R)-7-acetyl-12-hydroxy-2,9,9,18-tetramethyl-5,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,10-trien-17-yl]-1-morpholin-4-ylpentan-1-one
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| Structure |
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| Formula |
C33H49N3O4
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| Molecular Weight |
551.772
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| Canonical SMILES |
C[C@H](CCC(=O)N1CCOCC1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C(C)(C)c5c(C[C@]4(C)[C@H]3CC[C@]12C)ncn5C(C)=O
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| InChI |
InChI=1S/C33H49N3O4/c1-20(7-10-28(39)35-13-15-40-16-14-35)22-8-9-23-29-24(11-12-32(22,23)5)33(6)18-25-30(36(19-34-25)21(2)37)31(3,4)27(33)17-26(29)38/h17,19-20,22-24,26,29,38H,7-16,18H2,1-6H3/t20-,22-,23+,24+,26+,29+,32-,33-/m1/s1
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| InChIKey |
GAGQCIIYLUOIEW-GSUXFOCASA-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