General Information of the Compound
| Compound ID |
CP0577175
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| Compound Name |
17-[3-(dimethylamino)prop-1-ynyl]-3,5,13-triazatetracyclo[10.7.0.02,7.014,19]nonadeca-1(12),2,4,6,14(19),15,17-heptaen-4-amine
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| Structure |
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| Formula |
C21H23N5
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| Molecular Weight |
345.45
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| Canonical SMILES |
CN(C)CC#Cc1ccc2[nH]c3CCCCc4cnc(N)nc4-c3c2c1
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| InChI |
InChI=1S/C21H23N5/c1-26(2)11-5-6-14-9-10-17-16(12-14)19-18(24-17)8-4-3-7-15-13-23-21(22)25-20(15)19/h9-10,12-13,24H,3-4,7-8,11H2,1-2H3,(H2,22,23,25)
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| InChIKey |
CPATYMTVHBVJAQ-UHFFFAOYSA-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