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Chemical ID: 6605025
Chemical ID:
6605025
Name [?]:
None
SMILES [?]:
CC(C)c1ccc(cc1)N2c3c(c4c(c(nc(c4c(n3)N)N)N5CCCCC5)C#N)CC2=O
InChi [?]:
InChI=1/C25H27N7O/c1-14(2)15-6-8-16(9-7-15)32-19(33)12-17-20-18(13-26)24(31-10-4-3-5-11-31)29-22(27)21(20)23(28)30-25(17)32/h6-9,14H,3-5,10-12H2,1-2H3,(H2,27,29)(H2,28,30)
InChi Info:
AuxInfo=1/1/N:1,3,26,25,27,5,9,6,8,24,28,31,29,2,4,7,12,14,32,13,18,17,19,15,11,30,22,21,16,20,23,10,33/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:33nCCCCCCCCCNCCCCCNCCCNNNNCCCCCCNCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s13;d14;s15;d16;s13s17;d18;d11s19;s19;s17;s15;s23;s24;s25;s26;s23s27;s14;t29;s12;s10s31;d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27N7O |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6755 |
Area: | 637.122 |
Solvation: | -3.25258 |
Coulombic: | -69.0051 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 441.528 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 4.73 |
LogP (Chemaxon): | 4.22 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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