General Information of the Compound
| Compound ID |
CP0134486
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| Compound Name |
(6R)-N-[(2S)-5-(ethylamino)-1-hydroxy-5-oxopentan-2-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
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| Structure |
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| Formula |
C27H39N3O4
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| Molecular Weight |
469.626
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| Canonical SMILES |
CCNC(=O)CC[C@@H](CO)N(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1
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| InChI |
InChI=1S/C27H39N3O4/c1-4-28-26(32)10-7-21(17-31)29(2)27(33)20-6-9-25-23(16-20)22-15-19(5-8-24(22)30(25)3)18-11-13-34-14-12-18/h6,9,16,18-19,21,31H,4-5,7-8,10-15,17H2,1-3H3,(H,28,32)/t19-,21+/m1/s1
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| InChIKey |
GMNVCBCXIRKAHE-CTNGQTDRSA-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