General Information of the Compound
| Compound ID |
CP0485609
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| Compound Name |
[(1'R,3R,3'aS,6'S,8'R,9'aS,10'aR)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-1'-formyl-1',6'-dimethyl-3'a-(methylamino)-2-oxospiro[1H-indole-3,2'-4,6,7,8,9,9a,10,10a-octahydro-3H-cyclopenta[b]quinolizine]-8'-yl] pentanoate
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| Structure |
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| Formula |
C33H45N3O6
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| Molecular Weight |
579.738
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| Canonical SMILES |
CCCCC(=O)O[C@@H]1C[C@H](C)N2C[C@@]3(C[C@]4(C(=O)Nc5c4cccc5C(=O)[C@H]4OC4(C)C)[C@](C)(C=O)[C@H]3C[C@H]2C1)NC
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| InChI |
InChI=1S/C33H45N3O6/c1-7-8-12-25(38)41-21-13-19(2)36-17-32(34-6)16-33(31(5,18-37)24(32)15-20(36)14-21)23-11-9-10-22(26(23)35-29(33)40)27(39)28-30(3,4)42-28/h9-11,18-21,24,28,34H,7-8,12-17H2,1-6H3,(H,35,40)/t19-,20+,21+,24+,28+,31+,32+,33-/m0/s1
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| InChIKey |
ZSVWJJBSLMNNAT-VHGJHGAFSA-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