General Information of the Compound
| Compound ID |
CP0580232
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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]-1-piperidin-1-ylpentan-1-one
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| Structure |
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| Formula |
C34H51N3O2
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| Molecular Weight |
533.801
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| Canonical SMILES |
C[C@H](CCC(=O)N1CCCCC1)[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/C34H51N3O2/c1-22(10-15-30(39)36-18-8-7-9-19-36)26-12-13-27-25-11-14-29-32(3,4)31-24(21-35-37(31)23(2)38)20-34(29,6)28(25)16-17-33(26,27)5/h14,21-22,25-28H,7-13,15-20H2,1-6H3/t22-,25+,26-,27+,28+,33-,34-/m1/s1
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| InChIKey |
NALHNOPGTBGCID-JFSWXKILSA-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