General Information of the Compound
| Compound ID |
CP0437312
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| Compound Name |
(2S)-21-[(3S)-3-aminopyrrolidin-1-yl]-2-ethyl-3,7,18-trimethyl-11-oxa-3,18,22,24,25-pentazatetracyclo[21.2.1.05,10.019,24]hexacosa-1(25),5(10),6,8,19,21,23(26)-heptaen-4-one
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| Structure |
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| Formula |
C29H41N7O2
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| Molecular Weight |
519.694
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| Canonical SMILES |
CC[C@@H]1N(C)C(=O)c2cc(C)ccc2OCCCCCCN(C)c2cc(nc3cc1nn23)N1CC[C@H](N)C1
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| InChI |
InChI=1S/C29H41N7O2/c1-5-24-23-17-27-31-26(35-14-12-21(30)19-35)18-28(36(27)32-23)33(3)13-8-6-7-9-15-38-25-11-10-20(2)16-22(25)29(37)34(24)4/h10-11,16-18,21,24H,5-9,12-15,19,30H2,1-4H3/t21-,24-/m0/s1
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| InChIKey |
DCBRXNQJGVHYQZ-URXFXBBRSA-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