General Information of the Compound
| Compound ID |
CP0409299
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| Compound Name |
(2S)-20-[(3S)-3-aminopyrrolidin-1-yl]-2-ethyl-3,7,17-trimethyl-11-oxa-3,17,21,23,24-pentazatetracyclo[20.2.1.05,10.018,23]pentacosa-1(24),5(10),6,8,18,20,22(25)-heptaen-4-one
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| Structure |
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| Formula |
C28H39N7O2
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| Molecular Weight |
505.667
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| Canonical SMILES |
CC[C@@H]1N(C)C(=O)c2cc(C)ccc2OCCCCCN(C)c2cc(nc3cc1nn23)N1CC[C@H](N)C1
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| InChI |
InChI=1S/C28H39N7O2/c1-5-23-22-16-26-30-25(34-13-11-20(29)18-34)17-27(35(26)31-22)32(3)12-7-6-8-14-37-24-10-9-19(2)15-21(24)28(36)33(23)4/h9-10,15-17,20,23H,5-8,11-14,18,29H2,1-4H3/t20-,23-/m0/s1
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| InChIKey |
HEGMDOIVARKSDX-REWPJTCUSA-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
Protein ID: PT00459, Fusion glycoprotein F0
Protein ID: PT06676, Fusion glycoprotein F0