General Information of the Compound
| Compound ID |
CP0260331
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| Compound Name |
(4R)-4-[(1S,2R,13S,14S,17R,18R)-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]pentanoic acid
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| Structure |
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| Formula |
C27H40N2O2
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| Molecular Weight |
424.629
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| Canonical SMILES |
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5[nH]ncc5C[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C27H40N2O2/c1-16(6-11-23(30)31)19-8-9-20-18-7-10-22-25(2,3)24-17(15-28-29-24)14-27(22,5)21(18)12-13-26(19,20)4/h10,15-16,18-21H,6-9,11-14H2,1-5H3,(H,28,29)(H,30,31)/t16-,18+,19-,20+,21+,26-,27-/m1/s1
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| InChIKey |
CJCDUPODHNHJOJ-XNWUTOGOSA-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