General Information of the Compound
| Compound ID |
CP0577941
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| Compound Name |
ethyl (1S,2R,13S,14S,17R,18R)-2,9,9,18-tetramethyl-17-[(2R)-5-morpholin-4-yl-5-oxopentan-2-yl]-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,10-triene-5-carboxylate
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| Structure |
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| Formula |
C34H51N3O4
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| Molecular Weight |
565.799
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| Canonical SMILES |
CCOC(=O)c1n[nH]c2c1C[C@]1(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C1C2(C)C)[C@H](C)CCC(=O)N1CCOCC1
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| InChI |
InChI=1S/C34H51N3O4/c1-7-41-31(39)29-23-20-34(6)26-14-15-33(5)24(21(2)8-13-28(38)37-16-18-40-19-17-37)10-11-25(33)22(26)9-12-27(34)32(3,4)30(23)36-35-29/h12,21-22,24-26H,7-11,13-20H2,1-6H3,(H,35,36)/t21-,22+,24-,25+,26+,33-,34-/m1/s1
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| InChIKey |
XITSATDPGRQAHL-LQAZZROPSA-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