General Information of the Compound
| Compound ID |
CP0568861
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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-methylpentanamide
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| Structure |
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| Formula |
C30H45N3O2
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| Molecular Weight |
479.709
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| Canonical SMILES |
CNC(=O)CC[C@@H](C)[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/C30H45N3O2/c1-18(8-13-26(35)31-7)22-10-11-23-21-9-12-25-28(3,4)27-20(17-32-33(27)19(2)34)16-30(25,6)24(21)14-15-29(22,23)5/h12,17-18,21-24H,8-11,13-16H2,1-7H3,(H,31,35)/t18-,21+,22-,23+,24+,29-,30-/m1/s1
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| InChIKey |
BCORYKBQCMCRKQ-OKVPBLLOSA-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