General Information of the Compound
| Compound ID |
CP0571707
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| Compound Name |
N-[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-2-methylpyrimidine-5-carboxamide
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| Structure |
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| Formula |
C25H32ClN5O2
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| Molecular Weight |
470.017
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| Canonical SMILES |
C[C@H]1CN(Cc2cc(Cl)cc(NC(=O)c3cnc(C)nc3)c2C)CCN1C(=O)C1CCCC1
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| InChI |
InChI=1S/C25H32ClN5O2/c1-16-14-30(8-9-31(16)25(33)19-6-4-5-7-19)15-20-10-22(26)11-23(17(20)2)29-24(32)21-12-27-18(3)28-13-21/h10-13,16,19H,4-9,14-15H2,1-3H3,(H,29,32)/t16-/m0/s1
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| InChIKey |
HAXBJJXPLDXDIL-INIZCTEOSA-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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