General Information of the Compound
| Compound ID |
CP0157447
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| Compound Name |
(2S,3S)-2-amino-1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-3-methylpentan-1-one
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| Structure |
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| Formula |
C25H33F2N9O2
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| Molecular Weight |
529.596
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| Canonical SMILES |
CC[C@H](C)[C@H](N)C(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
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| InChI |
InChI=1S/C25H33F2N9O2/c1-3-16(2)19(28)22(37)33-8-10-34(11-9-33)23-30-24(35-12-14-38-15-13-35)32-25(31-23)36-18-7-5-4-6-17(18)29-21(36)20(26)27/h4-7,16,19-20H,3,8-15,28H2,1-2H3/t16-,19-/m0/s1
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| InChIKey |
QGQJNXQVPVENJB-LPHOPBHVSA-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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