General Information of the Compound
| Compound ID |
CP0557671
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| Compound Name |
(2S)-23-[(3S)-3-aminopyrrolidin-1-yl]-11,20-dimethyl-15-oxa-7,20,24,26,27-pentazapentacyclo[23.2.1.02,7.09,14.021,26]octacosa-1(27),9(14),10,12,21,23,25(28)-heptaen-8-one
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| Structure |
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| Formula |
C28H37N7O2
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| Molecular Weight |
503.651
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| Canonical SMILES |
CN1CCCCOc2ccc(C)cc2C(=O)N2CCCC[C@H]2c2cc3nc(cc1n3n2)N1CC[C@H](N)C1
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| InChI |
InChI=1S/C28H37N7O2/c1-19-8-9-24-21(15-19)28(36)34-12-4-3-7-23(34)22-16-26-30-25(33-13-10-20(29)18-33)17-27(35(26)31-22)32(2)11-5-6-14-37-24/h8-9,15-17,20,23H,3-7,10-14,18,29H2,1-2H3/t20-,23-/m0/s1
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| InChIKey |
RNKULGCYSCGYOZ-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