General Information of the Compound
| Compound ID |
CP0095342
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| Compound Name |
US8871778, 189
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| Structure |
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| Formula |
C23H26ClN7O
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| Molecular Weight |
451.962
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| Canonical SMILES |
Cc1nn(cc1CN1CC[C@@H](O)C1)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1
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| InChI |
InChI=1S/C23H26ClN7O/c1-14-16(11-30-9-7-18(32)13-30)12-31(28-14)21-6-8-25-23(27-21)26-17-4-5-20-19(10-17)22(24)15(2)29(20)3/h4-6,8,10,12,18,32H,7,9,11,13H2,1-3H3,(H,25,26,27)/t18-/m1/s1
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| InChIKey |
UTJDBKKZHLMLTN-GOSISDBHSA-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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