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Chemical ID: 7675033
Chemical ID:
7675033
Name [?]:
None
SMILES [?]:
Cc1c2c(cc(nc2n(n1)C)c3ccc(cc3)Cl)C(=O)Nc4cnn(c4C(=O)N)C
InChi [?]:
InChI=1/C20H18ClN7O2/c1-10-16-13(20(30)25-15-9-23-27(2)17(15)18(22)29)8-14(24-19(16)28(3)26-10)11-4-6-12(21)7-5-11/h4-9H,1-3H3,(H2,22,29)(H,25,30)
InChi Info:
AuxInfo=1/1/N:1,30,11,13,17,14,16,5,23,2,12,15,4,6,22,3,26,27,8,19,18,29,24,7,21,10,25,9,28,20/E:(4,5)(6,7)/rA:30nCCCCCCNCNNCCCCCCCClCONCCNNCCONC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s9;s6;s12;d13;s14;d15;d12s16;s15;s4;d19;s19;s21;s22;d23;s24;d22s25;s26;d27;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18ClN7O2 |
All Atoms: | 48 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.5642 |
Area: | 639.652 |
Solvation: | -4.4271 |
Coulombic: | -61.9504 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.42 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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