General Information of the Compound
| Compound ID |
CP0490031
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| Compound Name |
(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-di(propan-2-yl)pentanamide
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| Structure |
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| Formula |
C30H51NO2
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| Molecular Weight |
457.743
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| Canonical SMILES |
CC(C)N(C(C)C)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C30H51NO2/c1-19(2)31(20(3)4)28(33)13-8-21(5)25-11-12-26-24-10-9-22-18-23(32)14-16-29(22,6)27(24)15-17-30(25,26)7/h9,19-21,23-27,32H,8,10-18H2,1-7H3/t21-,23+,24+,25-,26+,27+,29+,30-/m1/s1
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| InChIKey |
GIXLVTUBSUQEPQ-NXUCFJMCSA-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