General Information of the Compound
| Compound ID |
CP0580193
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| Compound Name |
(4R)-4-[(1S,2R,13S,14S,17R,18R)-7-butanoyl-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 |
C35H53N3O3
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| Molecular Weight |
563.827
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| Canonical SMILES |
CCCC(=O)n1cnc2C[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CC=C3C(C)(C)c12)[C@H](C)CCC(=O)N1CCOCC1
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| InChI |
InChI=1S/C35H53N3O3/c1-7-8-31(40)38-22-36-28-21-35(6)27-15-16-34(5)25(23(2)9-14-30(39)37-17-19-41-20-18-37)11-12-26(34)24(27)10-13-29(35)33(3,4)32(28)38/h13,22-27H,7-12,14-21H2,1-6H3/t23-,24+,25-,26+,27+,34-,35-/m1/s1
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| InChIKey |
JCTYIKCMZIFNME-UCOYUEEVSA-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