General Information of the Compound
| Compound ID |
CP0437313
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| Compound Name |
(2S)-18-[(3S)-3-aminopyrrolidin-1-yl]-2-ethyl-3,7,15-trimethyl-11-oxa-3,15,19,21,22-pentazatetracyclo[18.2.1.05,10.016,21]tricosa-1(22),5(10),6,8,16,18,20(23)-heptaen-4-one
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| Structure |
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| Formula |
C26H35N7O2
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| Molecular Weight |
477.613
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| Canonical SMILES |
CC[C@@H]1N(C)C(=O)c2cc(C)ccc2OCCCN(C)c2cc(nc3cc1nn23)N1CC[C@H](N)C1
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| InChI |
InChI=1S/C26H35N7O2/c1-5-21-20-14-24-28-23(32-11-9-18(27)16-32)15-25(33(24)29-20)30(3)10-6-12-35-22-8-7-17(2)13-19(22)26(34)31(21)4/h7-8,13-15,18,21H,5-6,9-12,16,27H2,1-4H3/t18-,21-/m0/s1
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| InChIKey |
JNVKHGCTAKXYOJ-RXVVDRJESA-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