General Information of the Compound
| Compound ID |
CP0149977
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| Compound Name |
(4R)-4-[(1R,2S,5R,6R,9S,10S)-1,5,14,14-tetramethyl-16,19-diazapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-12,15,17,19-tetraen-6-yl]pentanoic acid
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| Structure |
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| Formula |
C28H40N2O2
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| Molecular Weight |
436.64
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| Canonical SMILES |
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5nccnc5C[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C28H40N2O2/c1-17(6-11-24(31)32)19-8-9-20-18-7-10-23-26(2,3)25-22(29-14-15-30-25)16-28(23,5)21(18)12-13-27(19,20)4/h10,14-15,17-21H,6-9,11-13,16H2,1-5H3,(H,31,32)/t17-,18+,19-,20+,21+,27-,28-/m1/s1
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| InChIKey |
OOFYSPZYUJOYQA-XPURWXCWSA-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