General Information of the Compound
| Compound ID |
CP0570524
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| Compound Name |
(4R)-4-[(1S,2R,13S,14S,17R,18R)-7-acetyl-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]-N-(5-nitro-1,3-thiazol-2-yl)pentanamide
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| Structure |
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| Formula |
C32H43N5O4S
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| Molecular Weight |
593.794
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| Canonical SMILES |
C[C@H](CCC(=O)Nc1ncc(s1)[N+]([O-])=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5c(C[C@]4(C)[C@H]3CC[C@]12C)cnn5C(C)=O
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| InChI |
InChI=1S/C32H43N5O4S/c1-18(7-12-26(39)35-29-33-17-27(42-29)37(40)41)22-9-10-23-21-8-11-25-30(3,4)28-20(16-34-36(28)19(2)38)15-32(25,6)24(21)13-14-31(22,23)5/h11,16-18,21-24H,7-10,12-15H2,1-6H3,(H,33,35,39)/t18-,21+,22-,23+,24+,31-,32-/m1/s1
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| InChIKey |
OSROBIJVCIDZOF-HFGGDGKSSA-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